cytisine Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
5217 485-35-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • cytisine
  • baptitoxine
  • tabex
RN given refers to (R)-isomer; structure
  • Molecular weight: 190.25
  • Formula: C11H14N2O
  • CLOGP: 0.01
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 32.34
  • ALOGS: -1.37
  • ROTB: 0

Drug dosage:

None

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
None Health Canada

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC N07BA04 NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
DRUGS USED IN ADDICTIVE DISORDERS
Drugs used in nicotine dependence
CHEBI has role CHEBI:38231 phytotoxins
CHEBI has role CHEBI:47958 muscarinic agonists
CHEBI has role CHEBI:76924 plant metabolites

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Smoking cessation assistance indication 384742004

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.18 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-7 Ion channel Ki 5.85 CHEMBL
Acetylcholine receptor subunit delta Ion channel EC50 4 CHEMBL
Neuronal acetylcholine receptor subunit alpha-7 Ion channel Ki 9.05 CHEMBL
Neuronal acetylcholine receptor subunit alpha-4 Ion channel Ki 9.47 CHEMBL
Nicotinic acetylcholine receptor alpha 5 subunit Ion channel Ki 5.91 CHEMBL
Acetylcholine receptor subunit alpha Ion channel IC50 5.45 CHEMBL

External reference:

IDSource
C0056913 UMLSCUI
CHEBI:4055 CHEBI
C5E PDB_CHEM_ID
CHEMBL497939 ChEMBL_ID
DB09028 DRUGBANK_ID
D07770 KEGG_DRUG
10235 PUBCHEM_CID
C004712 MESH_SUPPLEMENTAL_RECORD_UI
5347 IUPHAR_LIGAND_ID
11015 INN_ID
1ZI8CA9FWW UNII
53S5U404NU UNII
P2U1EM4JMV UNII
1723152 RXNORM
76283008 SNOMEDCT_US

Pharmaceutical products:

None