Details of the Drug

General Information of Drug (ID: DMI638K)

Drug Name
4-(2,2-Diphenyl-vinyl)-pyridine
Synonyms 4-(2,2-diphenylethenyl)pyridine; 4-Pyridylmethylene 35; AC1NEND1; CHEMBL381194; BDBM8645; SCHEMBL16946606
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
4-(2,2-diphenylethenyl)pyridine
Canonical SMILES
C1=CC=C(C=C1)C(=CC2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H15N/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)15-16-11-13-20-14-12-16/h1-15H
InChIKey
QSVVYMBWQOGDNI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4594970
CAS Number
15814-97-8
TTD ID
D0Z4GR

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.