NAV

Imidacloprid

Identification

Generic Name
Imidacloprid
DrugBank Accession Number
DB11421
Background

Imidacloprid is a neonicotinoid, which is a class of neuro-active insecticides modeled after nicotine. Imidacloprid is a patented chemical, Imidacloprid is manufactured by Bayer Cropscience (part of Bayer AG) and sold under trade names Kohinor, Admire, Advantage, Gaucho, Merit, Confidor, Hachikusan, Premise, Prothor, and Winner. It is marketed as pest control, seed treatment, an insecticide spray, termite control, flea control, and a systemic insecticide.

Type
Small Molecule
Groups
Vet approved
Structure
3D
Similar Structures
Weight
Average: 255.66
Monoisotopic: 255.0523023
Chemical Formula
C9H10ClN5O2
Synonyms
  • (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine
  • 1-((6-chloro-3-Pyridinyl)methyl)-N-nitro-2-imidazolidinimine
  • 1-((6-chloro-3-Pyridyl)methyl)-N-nitro-2-imidazolidinimine
  • IMD
External IDs
  • 138261-41-3
  • BAY NTN 33893

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UCHRNA7-FAM7A fusion proteinNot AvailableHumans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

Hover over products below to view reaction partners

Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as nitroguanidines. These are organonitrogen compounds containing a nitro group, which is N-linked to a guanidine.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Guanidines
Direct Parent
Nitroguanidines
Alternative Parents
2-halopyridines / Aryl chlorides / Nitramines / Imidazolines / Heteroaromatic compounds / Propargyl-type 1,3-dipolar organic compounds / Carboximidamides / Azacyclic compounds / Organopnictogen compounds / Organochlorides
show 3 more
Substituents
2-halopyridine / 2-imidazoline / Allyl-type 1,3-dipolar organic compound / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Carboximidamide / Heteroaromatic compound / Hydrocarbon derivative
show 13 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
imidazolidines, monochloropyridine (CHEBI:5870) / Neonicotinoid insecticides (C11110)
Affected organisms
Not Available

Chemical Identifiers

UNII
3BN7M937V8
CAS number
105827-78-9
InChI Key
YWTYJOPNNQFBPC-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
IUPAC Name
2-chloro-5-{[2-(nitroamino)-4,5-dihydro-1H-imidazol-1-yl]methyl}pyridine
SMILES
[O-][N+](=O)\N=C1/NCCN1CC1=CC=C(Cl)N=C1

References

General References
  1. Viradiya K, Mishra A: Imidacloprid poisoning. J Assoc Physicians India. 2011 Sep;59:594-5. [Article]
  2. Wamhoff H, Schneider V: Photodegradation of imidacloprid. J Agric Food Chem. 1999 Apr;47(4):1730-4. [Article]
  3. Yan ZG, Hou DB, Cao BH, Zhang GX, Zhou ZK: [Terahertz spectroscopic investigation of imidacloprid]. Guang Pu Xue Yu Guang Pu Fen Xi. 2008 Aug;28(8):1718-21. [Article]
  4. Panigrahi AK, Subrahmanyam DK, Mukku KK: Imidacloprid poisoning: a case report. Am J Emerg Med. 2009 Feb;27(2):256.e5-6. doi: 10.1016/j.ajem.2008.06.035. [Article]
  5. Shadnia S, Moghaddam HH: Fatal intoxication with imidacloprid insecticide. Am J Emerg Med. 2008 Jun;26(5):634.e1-4. doi: 10.1016/j.ajem.2007.09.024. [Article]
  6. Bonmatin JM, Marchand PA, Charvet R, Moineau I, Bengsch ER, Colin ME: Quantification of imidacloprid uptake in maize crops. J Agric Food Chem. 2005 Jun 29;53(13):5336-41. [Article]
  7. Kumar R, Dikshit AK: Assessment of imidacloprid in Brassica environment. J Environ Sci Health B. 2001 Sep;36(5):619-29. [Article]
  8. Schippers N, Schwack W: Photochemistry of imidacloprid in model systems. J Agric Food Chem. 2008 Sep 10;56(17):8023-9. doi: 10.1021/jf801251u. Epub 2008 Aug 9. [Article]
  9. Iyyadurai R, George IA, Peter JV: Imidacloprid poisoning--newer insecticide and fatal toxicity. J Med Toxicol. 2010 Mar;6(1):77-8. doi: 10.1007/s13181-010-0041-6. [Article]
  10. Gupta S, Gajbhiye VT, Kalpana, Agnihotri NP: Leaching behavior of imidacloprid formulations in soil. Bull Environ Contam Toxicol. 2002 Apr;68(4):502-8. [Article]
  11. Guez D, Suchail S, Gauthier M, Maleszka R, Belzunces LP: Contrasting effects of imidacloprid on habituation in 7- and 8-day-old honeybees (Apis mellifera). Neurobiol Learn Mem. 2001 Sep;76(2):183-91. [Article]
  12. Lambin M, Armengaud C, Raymond S, Gauthier M: Imidacloprid-induced facilitation of the proboscis extension reflex habituation in the honeybee. Arch Insect Biochem Physiol. 2001 Nov;48(3):129-34. [Article]
  13. Suchail S, Guez D, Belzunces LP: Discrepancy between acute and chronic toxicity induced by imidacloprid and its metabolites in Apis mellifera. Environ Toxicol Chem. 2001 Nov;20(11):2482-6. [Article]
  14. Deglise P, Grunewald B, Gauthier M: The insecticide imidacloprid is a partial agonist of the nicotinic receptor of honeybee Kenyon cells. Neurosci Lett. 2002 Mar 15;321(1-2):13-6. [Article]
  15. Armbrust KL, Peeler HB: Effects of formulation on the run-off of imidacloprid from turf. Pest Manag Sci. 2002 Jul;58(7):702-6. [Article]
  16. Bonmatin JM, Moineau I, Charvet R, Fleche C, Colin ME, Bengsch ER: A LC/APCI-MS/MS method for analysis of imidacloprid in soils, in plants, and in pollens. Anal Chem. 2003 May 1;75(9):2027-33. [Article]
  17. Laurent FM, Rathahao E: Distribution of [(14)C]imidacloprid in sunflowers (Helianthus annuus L.) following seed treatment. J Agric Food Chem. 2003 Dec 31;51(27):8005-10. [Article]
  18. Charvet R, Katouzian-Safadi M, Colin ME, Marchand PA, Bonmatin JM: [Systemic insecticides: new risk for pollinator insects]. Ann Pharm Fr. 2004 Jan;62(1):29-35. [Article]
  19. Weichel L, Nauen R: Uptake, translocation and bioavailability of imidacloprid in several hop varieties. Pest Manag Sci. 2004 May;60(5):440-6. [Article]
  20. Feng S, Kong Z, Wang X, Zhao L, Peng P: Acute toxicity and genotoxicity of two novel pesticides on amphibian, Rana N. Hallowell. Chemosphere. 2004 Aug;56(5):457-63. [Article]
  21. Zafeiridou G, Theophilidis G: The action of the insecticide imidacloprid on the respiratory rhythm of an insect: the beetle Tenebrio molitor. Neurosci Lett. 2004 Jul 29;365(3):205-9. [Article]
  22. Proenca P, Teixeira H, Castanheira F, Pinheiro J, Monsanto PV, Marques EP, Vieira DN: Two fatal intoxication cases with imidacloprid: LC/MS analysis. Forensic Sci Int. 2005 Oct 4;153(1):75-80. [Article]
  23. Wang AH, Wu JC, Yu YS, Liu JL, Yue JF, Wang MY: Selective insecticide-induced stimulation on fecundity and biochemical changes in Tryporyza incertulas (Lepidoptera: Pyralidae). J Econ Entomol. 2005 Aug;98(4):1144-9. [Article]
  24. Cuthbertson AG, Walters KF, Deppe C: Compatibility of the entomopathogenic fungus Lecanicillium muscarium and insecticides for eradication of sweetpotato whitefly, Bemisia tabaci. Mycopathologia. 2005 Aug;160(1):35-41. [Article]
  25. Capowiez Y, Berard A: Assessment of the effects of imidacloprid on the behavior of two earthworm species (Aporrectodea nocturna and Allolobophora icterica) using 2D terraria. Ecotoxicol Environ Saf. 2006 Jun;64(2):198-206. [Article]
  26. Jepson JE, Brown LA, Sattelle DB: The actions of the neonicotinoid imidacloprid on cholinergic neurons of Drosophila melanogaster. Invert Neurosci. 2006 Mar;6(1):33-40. Epub 2006 Feb 2. [Article]
  27. Ahern RG, Frank SD, Raupp MJ: Comparison of exclusion and imidacloprid for reduction of oviposition damage to young trees by periodical cicadas (Hemiptera: Cicadidae). J Econ Entomol. 2005 Dec;98(6):2133-6. [Article]
  28. Sanchez-Bayo F, Goka K: Influence of light in acute toxicity bioassays of imidacloprid and zinc pyrithione to zooplankton crustaceans. Aquat Toxicol. 2006 Jun 30;78(3):262-71. Epub 2006 Apr 18. [Article]
  29. Sanyal N, Hazra D, Pal R, Somchaudhury AK, Chowdhury A: Imidacloprid in processed tea and tea liquor. J Zhejiang Univ Sci B. 2006 Aug;7(8):619-22. [Article]
  30. Kreutzweiser DP, Good KP, Chartrand DT, Scarr TA, Holmes SB, Thompson DG: Effects on litter-dwelling earthworms and microbial decomposition of soil-applied imidacloprid for control of wood-boring insects. Pest Manag Sci. 2008 Feb;64(2):112-8. [Article]
  31. Kreutzweiser DP, Good KP, Chartrand DT, Scarr TA, Thompson DG: Toxicity of the systemic insecticide, imidacloprid, to forest stream insects and microbial communities. Bull Environ Contam Toxicol. 2008 Mar;80(3):211-4. doi: 10.1007/s00128-007-9347-8. Epub 2008 Jan 9. [Article]
  32. Drobne D, Blazic M, Van Gestel CA, Leser V, Zidar P, Jemec A, Trebse P: Toxicity of imidacloprid to the terrestrial isopod Porcellio scaber (Isopoda, Crustacea). Chemosphere. 2008 Apr;71(7):1326-34. doi: 10.1016/j.chemosphere.2007.11.042. Epub 2008 Jan 10. [Article]
  33. Rebek EJ, Herms DA, Smitley DR: Interspecific variation in resistance to emerald ash borer (Coleoptera: Buprestidae) among North American and Asian ash (Fraxinus spp.). Environ Entomol. 2008 Feb;37(1):242-6. [Article]
  34. Eisenback BM, Mullins DE, Salom SM, Kok LT: Evaluation of ELISA for imidacloprid detection in eastern hemlock (Tsuga canadensis) wood and needle tissues. Pest Manag Sci. 2009 Feb;65(2):122-8. doi: 10.1002/ps.1655. [Article]
  35. Kreutzweiser DP, Thompson DG, Scarr TA: Imidacloprid in leaves from systemically treated trees may inhibit litter breakdown by non-target invertebrates. Ecotoxicol Environ Saf. 2009 May;72(4):1053-7. doi: 10.1016/j.ecoenv.2008.09.017. Epub 2008 Oct 29. [Article]
  36. Costa C, Silvari V, Melchini A, Catania S, Heffron JJ, Trovato A, De Pasquale R: Genotoxicity of imidacloprid in relation to metabolic activation and composition of the commercial product. Mutat Res. 2009 Jan;672(1):40-4. doi: 10.1016/j.mrgentox.2008.09.018. Epub 2008 Oct 11. [Article]
  37. Chin-Chen ML, Esteve-Romero J, Carda-Broch S: Determination of the insecticide imidacloprid in fruit juices using micellar high-performance liquid chromatography. J AOAC Int. 2009 Sep-Oct;92(5):1551-6. [Article]
  38. Schippers N, Schwack W: Phototransformation of imidacloprid on isolated tomato fruit cuticles and on tomato fruits. J Photochem Photobiol B. 2010 Jan 21;98(1):57-60. doi: 10.1016/j.jphotobiol.2009.11.004. Epub 2009 Nov 12. [Article]
  39. Sahoo SK, Chahil GS, Mandal K, Battu RS, Singh B: Estimation of beta-cyfluthrin and imidacloprid in okra fruits and soil by chromatography techniques. J Environ Sci Health B. 2012;47(1):42-50. doi: 10.1080/03601234.2012.607765. [Article]
  40. Wang R, Wang Z, Yang H, Wang Y, Deng A: Highly sensitive and specific detection of neonicotinoid insecticide imidacloprid in environmental and food samples by a polyclonal antibody-based enzyme-linked immunosorbent assay. J Sci Food Agric. 2012 Apr;92(6):1253-60. doi: 10.1002/jsfa.4691. Epub 2011 Nov 15. [Article]
  41. Thuyet DQ, Jorgenson BC, Wissel-Tyson C, Watanabe H, Young TM: Wash off of imidacloprid and fipronil from turf and concrete surfaces using simulated rainfall. Sci Total Environ. 2012 Jan 1;414:515-24. doi: 10.1016/j.scitotenv.2011.10.051. Epub 2011 Nov 25. [Article]
  42. Popat A, Liu J, Hu Q, Kennedy M, Peters B, Lu GQ, Qiao SZ: Adsorption and release of biocides with mesoporous silica nanoparticles. Nanoscale. 2012 Feb 7;4(3):970-5. doi: 10.1039/c2nr11691j. Epub 2011 Dec 23. [Article]
  43. Flores-Cespedes F, Figueredo-Flores CI, Daza-Fernandez I, Vidal-Pena F, Villafranca-Sanchez M, Fernandez-Perez M: Preparation and characterization of imidacloprid lignin-polyethylene glycol matrices coated with ethylcellulose. J Agric Food Chem. 2012 Feb 1;60(4):1042-51. doi: 10.1021/jf2037483. Epub 2012 Jan 18. [Article]
  44. Starner K, Goh KS: Detections of the neonicotinoid insecticide imidacloprid in surface waters of three agricultural regions of California, USA, 2010-2011. Bull Environ Contam Toxicol. 2012 Mar;88(3):316-21. doi: 10.1007/s00128-011-0515-5. Epub 2012 Jan 8. [Article]
  45. Tanis SR, Cregg BM, Mota-Sanchez D, McCullough DG, Poland TM: Spatial and temporal distribution of trunk-injected (14) C-imidacloprid in Fraxinus trees. Pest Manag Sci. 2012 Apr;68(4):529-36. doi: 10.1002/ps.2281. Epub 2012 Jan 30. [Article]
  46. Knoepp JD, Vose JM, Michael JL, Reynolds BC: Imidacloprid movement in soils and impacts on soil microarthropods in southern Appalachian eastern hemlock stands. J Environ Qual. 2012 Mar-Apr;41(2):469-78. doi: 10.2134/jeq2011.0306. [Article]
  47. Adak T, Kumar J, Shakil NA, Walia S: Development of controlled release formulations of imidacloprid employing novel nano-ranged amphiphilic polymers. J Environ Sci Health B. 2012;47(3):217-25. doi: 10.1080/03601234.2012.634365. [Article]
  48. Adak T, Kumar J, Dey D, Shakil NA, Walia S: Residue and bio-efficacy evaluation of controlled release formulations of imidacloprid against pests in soybean (Glycine max). J Environ Sci Health B. 2012;47(3):226-31. doi: 10.1080/03601234.2012.634368. [Article]
  49. Chen XQ, Xiao Y, Wu LB, Chen Y, Peng Y: Imidacloprid affects Pardosa pseudoannulata adults and their unexposed offspring. Bull Environ Contam Toxicol. 2012 May;88(5):654-8. doi: 10.1007/s00128-012-0584-0. Epub 2012 Mar 7. [Article]
  50. Wu J, Wei H, Xue J: Degradation of imidacloprid in chrysanthemi flos and soil. Bull Environ Contam Toxicol. 2012 May;88(5):776-80. doi: 10.1007/s00128-012-0547-5. Epub 2012 Mar 8. [Article]
  51. Hoffmann EJ, Castle SJ: Imidacloprid in melon guttation fluid: a potential mode of exposure for pest and beneficial organisms. J Econ Entomol. 2012 Feb;105(1):67-71. [Article]
  52. He Y, Zhao J, Zheng Y, Desneux N, Wu K: Lethal effect of imidacloprid on the coccinellid predator Serangium japonicum and sublethal effects on predator voracity and on functional response to the whitefly Bemisia tabaci. Ecotoxicology. 2012 Jul;21(5):1291-300. doi: 10.1007/s10646-012-0883-6. Epub 2012 Mar 24. [Article]
  53. Ding X, Zhang W, Cheng D, He J, Yang KL: Oligopeptides functionalized surface plasmon resonance biosensors for detecting thiacloprid and imidacloprid. Biosens Bioelectron. 2012 May 15;35(1):271-6. doi: 10.1016/j.bios.2012.02.060. Epub 2012 Mar 7. [Article]
  54. Whitehorn PR, O'Connor S, Wackers FL, Goulson D: Neonicotinoid pesticide reduces bumble bee colony growth and queen production. Science. 2012 Apr 20;336(6079):351-2. doi: 10.1126/science.1215025. Epub 2012 Mar 29. [Article]
  55. Zhu YC, Luttrell R: Altered gene regulation and potential association with metabolic resistance development to imidacloprid in the tarnished plant bug, Lygus lineolaris. Pest Manag Sci. 2015 Jan;71(1):40-57. doi: 10.1002/ps.3761. Epub 2014 Mar 20. [Article]
  56. Thany SH, Tong F, Bloomquist JR: Pre-treatment of Stegomyia aegypti mosquitoes with a sublethal dose of imidacloprid impairs behavioural avoidance induced by lemon oil and DEET. Med Vet Entomol. 2015 Mar;29(1):99-103. doi: 10.1111/mve.12082. Epub 2014 Aug 25. [Article]
  57. Cardone A: Imidacloprid induces morphological and molecular damages on testis of lizard (Podarcis sicula). Ecotoxicology. 2015 Jan;24(1):94-105. doi: 10.1007/s10646-014-1361-0. Epub 2014 Oct 15. [Article]
  58. Abbas N, Khan H, Shad SA: Cross-resistance, stability, and fitness cost of resistance to imidacloprid in Musca domestica L., (Diptera: Muscidae). Parasitol Res. 2015 Jan;114(1):247-55. doi: 10.1007/s00436-014-4186-0. Epub 2014 Oct 24. [Article]
  59. Chahil GS, Mandal K, Sahoo SK, Singh B: Risk assessment of mixture formulation of spirotetramat and imidacloprid in chilli fruits. Environ Monit Assess. 2015 Jan;187(1):4105. doi: 10.1007/s10661-014-4105-y. Epub 2014 Dec 3. [Article]
  60. Qu Y, Xiao D, Li J, Chen Z, Biondi A, Desneux N, Gao X, Song D: Sublethal and hormesis effects of imidacloprid on the soybean aphid Aphis glycines. Ecotoxicology. 2015 Apr;24(3):479-87. doi: 10.1007/s10646-014-1396-2. Epub 2014 Dec 11. [Article]
  61. Seraydar KR, Kaufman PE: Does behaviour play a role in house fly resistance to imidacloprid-containing baits? Med Vet Entomol. 2015 Mar;29(1):60-7. doi: 10.1111/mve.12095. Epub 2015 Jan 2. [Article]
  62. Cycon M, Piotrowska-Seget Z: Biochemical and microbial soil functioning after application of the insecticide imidacloprid. J Environ Sci (China). 2015 Jan 1;27:147-58. doi: 10.1016/j.jes.2014.05.034. Epub 2014 Nov 11. [Article]
  63. Ge W, Yan S, Wang J, Zhu L, Chen A, Wang J: Oxidative stress and DNA damage induced by imidacloprid in zebrafish (Danio rerio). J Agric Food Chem. 2015 Feb 18;63(6):1856-62. doi: 10.1021/jf504895h. Epub 2015 Feb 5. [Article]
  64. Garrood WT, Zimmer CT, Gorman KJ, Nauen R, Bass C, Davies TG: Field-evolved resistance to imidacloprid and ethiprole in populations of brown planthopper Nilaparvata lugens collected from across South and East Asia. Pest Manag Sci. 2016 Jan;72(1):140-9. doi: 10.1002/ps.3980. Epub 2015 Feb 19. [Article]
  65. Fuentes E, Cid C, Baez ME: Determination of imidacloprid in water samples via photochemically induced fluorescence and second-order multivariate calibration. Talanta. 2015 Mar;134:8-15. doi: 10.1016/j.talanta.2014.11.017. Epub 2014 Nov 15. [Article]
  66. Soares HM, Jacob CR, Carvalho SM, Nocelli RC, Malaspina O: Toxicity of Imidacloprid to the Stingless Bee Scaptotrigona postica Latreille, 1807 (Hymenoptera: Apidae). Bull Environ Contam Toxicol. 2015 Jun;94(6):675-80. doi: 10.1007/s00128-015-1488-6. Epub 2015 Feb 10. [Article]
  67. Zhuang AX, Zhang YX, Zhang H, Liu ZW: The insecticidal activity and action mode of an imidacloprid analogue, 1-(3-pyridylmethyl)-2-nitroimino-imidazolidine. Insect Sci. 2015 Mar 5. doi: 10.1111/1744-7917.12217. [Article]
  68. Krischik V, Rogers M, Gupta G, Varshney A: Soil-applied imidacloprid translocates to ornamental flowers and reduces survival of adult Coleomegilla maculata, Harmonia axyridis, and Hippodamia convergens lady beetles, and larval Danaus plexippus and Vanessa cardui butterflies. PLoS One. 2015 Mar 23;10(3):e0119133. doi: 10.1371/journal.pone.0119133. eCollection 2015. [Article]
  69. Arslan M, Sevgiler Y, Buyukleyla M, Yardimci M, Yilmaz M, Rencuzogullari E: Sex-related effects of imidacloprid modulated by piperonyl butoxide and menadione in rats. Part II: genotoxic and cytotoxic potential. Drug Chem Toxicol. 2016 Jan;39(1):81-6. doi: 10.3109/01480545.2015.1029049. Epub 2015 Sep 25. [Article]
  70. Ding F, Peng W: Biological assessment of neonicotinoids imidacloprid and its major metabolites for potentially human health using globular proteins as a model. J Photochem Photobiol B. 2015 Jun;147:24-36. doi: 10.1016/j.jphotobiol.2015.03.010. Epub 2015 Mar 23. [Article]
  71. Uhl P, Bucher R, Schafer RB, Entling MH: Sublethal effects of imidacloprid on interactions in a tritrophic system of non-target species. Chemosphere. 2015 Aug;132:152-8. doi: 10.1016/j.chemosphere.2015.03.027. Epub 2015 Apr 2. [Article]
  72. Yannai, Shmuel (2003). Dictionary of Food Compounds with : Additives, Flavors, and Ingredients. CRC Press LLC. [ISBN:1584884169]
Human Metabolome Database
HMDB0040292
KEGG Compound
C11110
PubChem Compound
86418
PubChem Substance
347827978
ChemSpider
77934
BindingDB
50212288
RxNav
1251576
ChEBI
39168
ChEMBL
CHEMBL406819
ZINC
ZINC000004474604
PDBe Ligand
IM4
Wikipedia
Imidacloprid
PDB Entries
2zju / 3c79 / 3wth

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
SolutionTopical
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.346 mg/mLALOGPS
logP0.65ALOGPS
logP1.1Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)9.39Chemaxon
pKa (Strongest Basic)5.28Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area86.34 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity63.75 m3·mol-1Chemaxon
Polarizability23.17 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-0udi-0290000000-0812870c582a68d58f9e
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-0udi-0930000000-343db00f5be70f0fe78c
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-0udi-0090000000-719eaaca2c7a38c90d68
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-0udi-0090000000-942ea462298844bafdc2
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-0udi-0090000000-56328a93fd1e38aa2242
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-000i-9000000000-cad2f4a13e5493517e85
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-000i-9000000000-5f6d2d344bf6659eca47
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-0udi-0090000000-68418a137b14a769367c
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-0udi-0090000000-47ad82be374a283a9dbb
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-0udi-0920000000-46ef972fc42dceee7393
LC-MS/MS Spectrum - LC-ESI-QFT , negativeLC-MS/MSsplash10-0udi-0090000000-fc3fa48055c83ff1de5f
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0a4i-0190000000-0cd6e54fe940f97ccb1d
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-056r-0980000000-e48625fbd18b2d626cc6
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-056r-0960000000-89d9de4658faefa962b1
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0a6r-0940000000-16fe6279a6031f08bb67
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0aba-0910000000-2859fa22e79d10470b94
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-08fr-0390000000-ab06f369da2af69be924
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0a4i-0190000000-af26c2abec118b42cc59
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0a6r-1690000000-bdb0da3c5b4d2789acb0
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-056r-1950000000-5a4755b10a4e754f2069
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-056r-0940000000-2e31ccf620f9ca9f14ee
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-056r-0930000000-abcd5bffba7827c62c13
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0adi-0910000000-fbf656c3eb3e0ab03cda
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0a4i-0190000000-7ec48b0289e1fbe705c2
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0a6r-0690000000-9173158042e8e8d6abad
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-056r-1950000000-7476fa021f343b34c411
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-056r-0940000000-d31a41c33a42ac1fb4a8
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-056r-0930000000-76a0dadfda8f1dfc8927
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-0adi-0910000000-d43392a7665ebb711bce
LC-MS/MS Spectrum - LC-ESI-ITFT , positiveLC-MS/MSsplash10-08fr-0390000000-cd43a26592c90246a64d
MS/MS Spectrum - , positiveLC-MS/MSsplash10-05di-2920000000-c29270e5a1a153c5bef7
LC-MS/MS Spectrum - LC-ESI-QFT , positiveLC-MS/MSsplash10-0a6r-1890000000-c615a6793de82b35fb78
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable

Targets

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Details1. CHRNA7-FAM7A fusion protein
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Extracellular ligand-gated ion channel activity
Specific Function
Not Available
Gene Name
CHRFAM7A
Uniprot ID
Q494W8
Uniprot Name
CHRNA7-FAM7A fusion protein
Molecular Weight
46217.335 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Drug created at February 25, 2016 18:38 / Updated at June 12, 2020 16:53