Details of the Drug

General Information of Drug (ID: DM2UTEA)

Drug Name

7-((1H-imidazol-1-yl)methyl)-2H-chromen-2-one

Synonyms

CHEMBL224649; Coumarin deriv. 27; BDBM9478; ZINC13586720

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)

226.23

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H10N2O2
IUPAC Name: 7-(imidazol-1-ylmethyl)chromen-2-one
Canonical SMILES: C1=CC(=CC2=C1C=CC(=O)O2)CN3C=CN=C3
InChI: InChI=1S/C13H10N2O2/c16-13-4-3-11-2-1-10(7-12(11)17-13)8-15-6-5-14-9-15/h1-7,9H,8H2
InChIKey: HXFIMHPPOABVMO-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem. 2009 Jan 8;52(1):143-50.