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Imidocarb

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Identification

Generic Name
Imidocarb
DrugBank Accession Number
DB11521
Background

Imidocarb is a urea derivative used in veterinary medicine as an antiprotozoal agent for the treatment of infection with Babesia and other parasites.

Type
Small Molecule
Groups
Vet approved
Structure
3D
Similar Structures
Weight
Average: 348.41
Monoisotopic: 348.169859288
Chemical Formula
C19H20N6O
Synonyms
  • 1,3-Bis(3-(2-imidazolin-2-yl)phenyl)harnstoff
  • 1,3-bis(3-(2-imidazolin-2-yl)phenyl)urea
  • Imidocarb
  • Imidocarbe
  • Imidocarbo
  • Imidocarbum
  • N,N'-bis(3-(4,5-dihydro-1H-imidazol-2-yl)phenyl)urea
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
AAcetylcholinesterase
inhibitor
Humans
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
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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Product Ingredients
IngredientUNIICASInChI Key
Imidocarb dipropionateZSM1M03SHC55750-06-6AFGQXWSHYUHHNV-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
N-phenylureas
Direct Parent
N-phenylureas
Alternative Parents
Imidolactams / Imidazolines / Ureas / Propargyl-type 1,3-dipolar organic compounds / Carboximidamides / Carboxamidines / Azacyclic compounds / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
2-imidazoline / Amidine / Aromatic heteromonocyclic compound / Azacycle / Carbonic acid derivative / Carbonyl group / Carboximidamide / Carboxylic acid amidine / Hydrocarbon derivative / Imidolactam
show 11 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
ureas (CHEBI:51804)
Affected organisms
Not Available

Chemical Identifiers

UNII
8USS3K0VDH
CAS number
27885-92-3
InChI Key
SCEVFJUWLLRELN-UHFFFAOYSA-N
InChI
InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)
IUPAC Name
1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
SMILES
O=C(NC1=CC=CC(=C1)C1=NCCN1)NC1=CC=CC(=C1)C1=NCCN1

References

General References
  1. Rakhimov TKh, Shmunk EK, Tursunov MT, Tashtemirov N, Gafurov A: [Dimidin and imidocarb in piroplasmosis]. Veterinariia. 1977 Oct;(10):75-7. [Article]
  2. Ali BH, Hassan T, Suliman HB, Abdelsalam EB: Some effects of imidocarb in goats. Vet Hum Toxicol. 1985 Dec;27(6):477-80. [Article]
  3. Timofeev BA, Bolotin IM, Stepanova LP, Bogdanov AA Jr, Georgiu K, Malyshev SN, Petrovsky VV, Klibanov AL, Torchilin VP: Liposomal diamidine (imidocarb): preparation and animal studies. J Microencapsul. 1994 Nov-Dec;11(6):627-32. [Article]
  4. Wang Z, Li X, Su D, Li Y, Wu L, Wang Y, Wu W: Residue depletion of imidocarb in Swine tissue. J Agric Food Chem. 2009 Mar 25;57(6):2324-8. doi: 10.1021/jf803251j. [Article]
  5. Uilenberg G, Verdiesen PA, Zwart D: Imidocarb: a chemoprophylactic experiment with Babesia canis. Vet Q. 1981 Jul;3(3):118-23. [Article]
  6. Coldham NG, Moore AS, Dave M, Graham PJ, Sivapathasundaram S, Lake BG, Sauer MJ: Imidocarb residues in edible bovine tissues and in vitro assessment of imidocarb metabolism and cytotoxicity. Drug Metab Dispos. 1995 Apr;23(4):501-5. [Article]
  7. Adams LG, Corrier DE, Williams JD: A study of the toxicity of imidocarb dipropionate in cattle. Res Vet Sci. 1980 Mar;28(2):172-7. [Article]
  8. McHardy N, Simpson RM: Imidocarb dipropionate therapy in Kenyan anaplasmosis and babesiosis. Trop Anim Health Prod. 1974 May;6(2):63-70. [Article]
  9. Vercammen F, De Deken R, Maes L: Prophylactic activity of imidocarb against experimental infection with Babesia canis. Vet Parasitol. 1996 Jun;63(3-4):195-8. [Article]
  10. Roby TO, Mazzola V: Elimination of the carrier state of bovine anaplasmosis with imidocarb. Am J Vet Res. 1972 Oct;33(10):1931-3. [Article]
KEGG Drug
D08069
ChemSpider
20102
BindingDB
79241
RxNav
1740237
ChEBI
51804
ChEMBL
CHEMBL427342
ZINC
ZINC000000073661
Wikipedia
Imidocarb

Clinical Trials

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Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.169 mg/mLALOGPS
logP2.22ALOGPS
logP1.62Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)11.38Chemaxon
pKa (Strongest Basic)9.54Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area89.91 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity103.97 m3·mol-1Chemaxon
Polarizability38.83 Å3Chemaxon
Number of Rings4Chemaxon
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
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0002-0009000000-07b6840529b6cccc3ba4
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0002-0309000000-fd4647fe9509e7659a9d
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000j-0905000000-8667f80a5a6b953c2183
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0900000000-25c5ffbd6bc1ea72ea04
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0900000000-3402a2100d3066c1d051
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-01p9-0901000000-7df096c824d19686f841
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0009000000-16cab4d6876dabb37f57
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03fr-0927000000-09cd1d9dfa0eacfcafc2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0209000000-3c6bbb21730506b107eb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ot-3907000000-af10c0c15e3dddad366c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ab9-0918000000-1354eb51566321a40ca3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kf-9501000000-637e9da9f0833305d172
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-206.5350714
predicted
DarkChem Lite v0.1.0
[M-H]-178.67679
predicted
DeepCCS 1.0 (2019)
[M+H]+207.3666714
predicted
DarkChem Lite v0.1.0
[M+H]+181.03479
predicted
DeepCCS 1.0 (2019)
[M+Na]+206.3859714
predicted
DarkChem Lite v0.1.0
[M+Na]+187.95894
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Acetylcholinesterase
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Hydrolyzes rapidly the acetylcholine neurotransmitter released into the synaptic cleft allowing to terminate the signal transduction at the neuromuscular junction. Role in neuronal apoptosis
Specific Function
acetylcholine binding
Gene Name
ACHE
Uniprot ID
P22303
Uniprot Name
Acetylcholinesterase
Molecular Weight
67795.525 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Drug created at February 26, 2016 17:33 / Updated at August 26, 2024 19:22