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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL497939
CHEMBL497939
Compound Name CYTISINE
ChEMBL Synonyms (-)-CYTISINE | 4, (-)-CYTISINE | [3H]cytisine
Max Phase 0
Trade Names
Molecular Formula C11H14N2O

Additional synonyms for CHEMBL497939 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C=CC=C2[C@H]3CNC[C@H](C3)CN12
Standard InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11 ...
Download InChI
Standard InChI Key ANJTVLIZGCUXLD-DTWKUNHWSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL497939

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
190.2 190.1106 -0.34 0 32.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.77 - -.01 -.01 0 14 0.57

Structural Alerts

There are 2 structural alerts for CHEMBL497939. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ANJTVLIZGCUXLD-DTWKUNHWSA-N
PubChem SID: 11112361 SID: 11114058 SID: 26752181 SID: 477069 SID: 56463106
Wikipedia Cytisine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL497939



ACToR 3728-36-7
ChEBI 4055
DrugBank DB09028
eMolecules 704313
FDA SRS 53S5U404NU
Guide to Pharmacology 5347
IBM Patent System C33A15E1759385BDDB73D803F6D8F913
LINCS LSM-25650
Mcule MCULE-8680446527
MolPort MolPort-000-880-972
Nikkaji J9.571K
PDBe C5E
PubChem 10235
PubChem: Thomson Pharma 15899404 16325148
Selleck Cytisine(Baphitoxine,-Sophorine)
SureChEMBL SCHEMBL161398

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ANJTVLIZGCUXLD-DTWKUNHWSA-N spacer
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