cotinine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
737 486-56-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • cotinine
  • (-)-Cotinine
  • (S)-Cotinine
  • cotinine fumarate
The N-glucuronide conjugate of cotinine is a major urinary metabolite of NICOTINE. It thus serves as a biomarker of exposure to tobacco SMOKING. It has CNS stimulating properties.
  • Molecular weight: 176.22
  • Formula: C10H12N2O
  • CLOGP: -0.34
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 0
  • TPSA: 33.20
  • ALOGS: -0.18
  • ROTB: 1

Drug dosage:

None

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Hosey CM, Chan R, Benet LZ
BA (Bioavailability) 97 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 1.10 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 0.89 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 17 hours Lombardo F, Berellini G, Obach RS
S (Water solubility) 1000 mg/mL Bocci G, Oprea TI, Benet LZ

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D007202 Indicators and Reagents
CHEBI has role CHEBI:35469 antidepressants
CHEBI has role CHEBI:59163 biological marker
CHEBI has role CHEBI:76924 plant metabolites
CHEBI has role CHEBI:76967 human xenobiotic metabolites

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.78 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Neuronal acetylcholine receptor subunit alpha-2 Ion channel WOMBAT-PK

External reference:

IDSource
D03596 KEGG_DRUG
C0010194 UMLSCUI
CHEBI:68641 CHEBI
CHEMBL578211 ChEMBL_ID
D003367 MESH_DESCRIPTOR_UI
854019 PUBCHEM_CID
1625 INN_ID
5695-98-7 SECONDARY_CAS_RN
K5161X06LL UNII
115620009 SNOMEDCT_US
U5H PDB_CHEM_ID
CHEMBL3989573 ChEMBL_ID

Pharmaceutical products:

None