Details of the Drug

General Information of Drug (ID: DMHT6FX)

Drug Name
3-[6-Methoxy-indan-(1E)-ylidenemethyl]-pyridine
Synonyms (3-Pyridylmethylene)indane 15a; CHEMBL366772; BDBM8601; AC1O7055; 3-[(E)-(6-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
3-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine
Canonical SMILES
COC1=CC\\2=C(CC/C2=C\\C3=CN=CC=C3)C=C1
InChI
InChI=1S/C16H15NO/c1-18-15-7-6-13-4-5-14(16(13)10-15)9-12-3-2-8-17-11-12/h2-3,6-11H,4-5H2,1H3/b14-9+
InChIKey
NDEGTMIIOPDVPA-NTEUORMPSA-N
Cross-matching ID
PubChem CID
6539777
TTD ID
D00VUO

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.