General
Preferred name
COTININE
Synonyms
(-)-Cotinine ()
NIH-10498 ()
S-(-)-Cotinine ()
Cotinine (-) ()
(S)-Cotinine ()
Cotinine fumarate ()
Nicotine related compound c ()
Cotinina ()
(-)-Cotinine (CRM) ()
P&D ID
PD002405
CAS
486-56-6
5695-98-7
Tags
available
drug
drug candidate
Drug indication
Nicotine dependence
Insecticide
Drug Status
approved
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Cotinine ((-)-Cotinine) is an orally active alkaloid found in tobacco and is the primary metabolite of nicotine. Cotinine is metabolized by CYP2A13 into trans-3'-hydroxycotinine. Cotinine is used as a biomarker to measure exposure to tobacco smoke components. Cotinine has vasodepressor activity. The mixture of cotinine and nicotine (Nicotine) has antiproliferative activity against pterygium. (S)-(-)-Cotinine activates nicotinic acetylcholine receptors (nAChR) in a calcium-dependent manner, leading to the release of dopamine (Dopamine, HY-B0451). Cotinine ((-)-Cotinine) is used in research related to cardiovascular and inflammatory diseases[1][2][3][4][5].
PRICE 380
DESCRIPTION Major metabolite of nicotine in humans (LOPAC library)
DESCRIPTION Cotinine (NIH-10498) is an alkaloid found in tobacco and is also the predominant metabolite of nicotine. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
15
Cayman Chemical Bioactives
15314
40379
ChEMBL Drugs
CHEMBL578211
CHEMBL3989573
Drug Repurposing Hub
DrugCentral
737
DrugCentral Approved Drugs
737
DrugMAP
DMCEZ1B
DrugMAP Approved Drugs
DMCEZ1B
LOPAC library
MedChem Express Bioactive Compound Library
HY-B1178
NIH Clinical Collections (NCC)
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
s-cotinine
TargetMol Bioactive Compound Library
T1202
The Spectrum Collection
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
176.09
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
1
cLogP
1.37
TPSA
33.2
Fraction CSP3
0.4
Chiral centers
1.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Nicotinic
Target
Endogenous Metabolite
Nicotinic Receptor
nAChR
MOA
nicotine metabolite
Pathway
Metabolism
Neuroscience
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Neuronal Signaling
Source data