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
ChEBI ID
CHEMBL193555
TTD ID
D0Y0CT
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.