Details of the Drug

General Information of Drug (ID: DM25GS6)

Drug Name
4-[5-Methoxy-indan-(1E)-ylidenemethyl]-pyridine
Synonyms (4-Pyridylmethylene)indane 12a; CHEMBL359942; BDBM8622; AC1O7067; 4-[(E)-(5-methoxy-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) 237.3
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H15NO
IUPAC Name
4-[(E)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
Canonical SMILES
COC1=CC2=C(C=C1)/C(=C/C3=CC=NC=C3)/CC2
InChI
InChI=1S/C16H15NO/c1-18-15-4-5-16-13(2-3-14(16)11-15)10-12-6-8-17-9-7-12/h4-11H,2-3H2,1H3/b13-10+
InChIKey
VDGYNVYFCLIMOF-JLHYYAGUSA-N
Cross-matching ID
PubChem CID
6539796
TTD ID
D09HGK

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.