Details of the Drug

General Information of Drug (ID: DMFRCQS)

Drug Name
4-Indan-(1E)-ylidenemethyl-pyridine
Synonyms
(4-Pyridylmethylene)indane 2a; SCHEMBL4230787; BDBM8616; CHEMBL175962; SCHEMBL4230798; AC1O705V; ZINC13610822; 4-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine; 4-[(1E)-2,3-dihydro-1H-inden-1-ylidenemethyl]pyridine; 4-[(E)-2,3-Dihydro-1H-inden-1-ylidenemethyl]pyridine Oxalate
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) 207.27
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C15H13N
IUPAC Name
4-[(E)-2,3-dihydroinden-1-ylidenemethyl]pyridine
Canonical SMILES
C1C/C(=C\\C2=CC=NC=C2)/C3=CC=CC=C31
InChI
InChI=1S/C15H13N/c1-2-4-15-13(3-1)5-6-14(15)11-12-7-9-16-10-8-12/h1-4,7-11H,5-6H2/b14-11+
InChIKey
ZHGWOEHABOMOSV-SDNWHVSQSA-N
Cross-matching ID
PubChem CID
6539790
ChEBI ID
CHEMBL175962
TTD ID
D05YNW
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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.