Details of the Drug

General Information of Drug (ID: DMCPOQ9)

Drug Name
3-(2,2-Diphenyl-vinyl)-pyridine
Synonyms 3-(2,2-diphenylethenyl)pyridine; 3-Pyridylmethylene 33; BDBM8638; CHEMBL370317; 3-(2,2-Diphenylvinyl)Pyridine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 257.3
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C19H15N
IUPAC Name
3-(2,2-diphenylethenyl)pyridine
Canonical SMILES
C1=CC=C(C=C1)C(=CC2=CN=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H15N/c1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)14-16-8-7-13-20-15-16/h1-15H
InChIKey
GOQNCJGTIMHWGO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6539811
TTD ID
D02XTS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitor... J Med Chem. 2005 Mar 10;48(5):1563-75.