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]
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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
TTD ID: D05YNW

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.