cytisine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | 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: -0.41
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 1
  • TPSA: 32.34
  • ALOGS: -1.37
  • ROTB: 0

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,AKT2,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,HASPIN,IRAK1,IRAK4,ITK,MAP2K6,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK7,MAPKAPK2,MARK4,NTRK1,NTRK2,PDK1,PDK2,PDK4,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ULK1 42
kinase-selectivity-class AKT1,AKT2,AKT3,AXL,CAMK2B,CAMK2D,CHUK,CLK2,EIF2AK3,GAK,HASPIN,IRAK1,IRAK4,MAP3K14,MAP3K7,MAP4K3,PAK4,PDK1,PRKG1,SIK2,STK33,SYK 22
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
None Health Canada

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
CHEBI has role CHEBI:38231 phytotoxin
CHEBI has role CHEBI:47958 nicotinic acetylcholine receptor agonist
CHEBI has role CHEBI:76924 plant metabolite

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

DiseaseRelationSNOMED_IDDOID
Smoking cessation assistance indication 384742004




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

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-4 Ion channel Ki 9.47 CHEMBL
Neuronal acetylcholine receptor subunit alpha-7 Ion channel Ki 9.05 CHEMBL
Acetylcholine receptor subunit alpha Ion channel IC50 5.45 CHEMBL
Nicotinic acetylcholine receptor alpha 5 subunit Ion channel Ki 5.91 CHEMBL

External reference:

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

Pharmaceutical products:

None