Details of the Drug

General Information of Drug (ID: DMYEWA4)

Drug Name
3-[3-Phenyl-indan-(1E)-ylidenemethyl]-pyridine
Synonyms (3-Pyridylmethylene)indane 37a; BDBM8648; AC1O707H; CHEMBL193555; 3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]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) 283.4
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C21H17N
IUPAC Name
3-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)methyl]pyridine
Canonical SMILES
C\\1C(C2=CC=CC=C2/C1=C/C3=CN=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H17N/c1-2-8-17(9-3-1)21-14-18(13-16-7-6-12-22-15-16)19-10-4-5-11-20(19)21/h1-13,15,21H,14H2/b18-13+
InChIKey
ADQBWRCDKUIPFI-QGOAFFKASA-N
Cross-matching ID
PubChem CID
6539819
TTD ID
D0Y0CT

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.