Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Propidium
- DrugBank Accession Number
- DB02166
- Background
Quaternary ammonium analog of ethidium; an intercalating dye with a specific affinity to certain forms of DNA and, used as diiodide, to separate them in density gradients; also forms fluorescent complexes with cholinesterase which it inhibits. [PubChem]
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Propidium (DB02166)
- Weight
- Average: 414.5857
Monoisotopic: 414.278347108 - Chemical Formula
- C27H34N4
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AAcetylcholinesterase inhibitorHumans - 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Quinolines and derivatives
- Sub Class
- Phenylquinolines
- Direct Parent
- Phenylquinolines
- Alternative Parents
- Phenanthridines and derivatives / Phenylpyridines / Aminoquinolines and derivatives / Isoquinolines and derivatives / Pyridinium derivatives / Benzene and substituted derivatives / Tetraalkylammonium salts / Heteroaromatic compounds / Azacyclic compounds / Primary amines show 4 more
- Substituents
- 2-phenylpyridine / Amine / Aminoquinoline / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzoquinoline / Heteroaromatic compound / Hydrocarbon derivative / Isoquinoline show 13 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- quaternary ammonium ion, phenanthridines (CHEBI:51246)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 74NX23J96Y
- CAS number
- 36015-30-2
- InChI Key
- ZDWVWKDAWBGPDN-UHFFFAOYSA-O
- InChI
- InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1
- IUPAC Name
- 3,8-diamino-5-{3-[diethyl(methyl)azaniumyl]propyl}-6-phenylphenanthridin-5-ium
- SMILES
- CC[N+](C)(CC)CCC[N+]1=C(C2=CC=CC=C2)C2=C(C=CC(N)=C2)C2=C1C=C(N)C=C2
References
- General References
- Not Available
- External Links
- PubChem Compound
- 4939
- PubChem Substance
- 46506410
- ChemSpider
- 4770
- BindingDB
- 31904
- ChEBI
- 51246
- ChEMBL
- CHEMBL332935
- ZINC
- ZINC000000622264
- PDBe Ligand
- PRM
- Wikipedia
- Propidium_iodide
- PDB Entries
- 1n5r / 6esj
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 7.13e-07 mg/mL ALOGPS logP 1.56 ALOGPS logP -4.6 Chemaxon logS -8.8 ALOGPS pKa (Strongest Basic) 3.48 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 55.92 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 145.54 m3·mol-1 Chemaxon Polarizability 49.6 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.7303 Blood Brain Barrier + 0.927 Caco-2 permeable + 0.5616 P-glycoprotein substrate Substrate 0.798 P-glycoprotein inhibitor I Non-inhibitor 0.8231 P-glycoprotein inhibitor II Inhibitor 0.7992 Renal organic cation transporter Inhibitor 0.5307 CYP450 2C9 substrate Non-substrate 0.8738 CYP450 2D6 substrate Non-substrate 0.5942 CYP450 3A4 substrate Substrate 0.5784 CYP450 1A2 substrate Inhibitor 0.9106 CYP450 2C9 inhibitor Non-inhibitor 0.8787 CYP450 2D6 inhibitor Inhibitor 0.8931 CYP450 2C19 inhibitor Inhibitor 0.7701 CYP450 3A4 inhibitor Non-inhibitor 0.5381 CYP450 inhibitory promiscuity High CYP Inhibitory Promiscuity 0.6237 Ames test Non AMES toxic 0.6243 Carcinogenicity Non-carcinogens 0.8437 Biodegradation Not ready biodegradable 0.9833 Rat acute toxicity 2.7590 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9153 hERG inhibition (predictor II) Inhibitor 0.9367
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 202.87068 predictedDeepCCS 1.0 (2019) [M+H]+ 205.26624 predictedDeepCCS 1.0 (2019) [M+Na]+ 211.55998 predictedDeepCCS 1.0 (2019)
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- 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
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- 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]
- 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 June 13, 2005 13:24 / Updated at August 26, 2024 19:22