Details of the Drug

General Information of Drug (ID: DM09Y72)

Drug Name

5-Bromo-8-imidazol-1-ylmethyl-chromen-4-one

Synonyms

CHEMBL161530; 5-Bromo-8-imidazol-1-ylmethyl-chromen-4-one; BDBM50097371; 8-((1H-imidazol-1-yl)methyl)-5-bromo-4H-chromen-4-one

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)

305.13

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H9BrN2O2
IUPAC Name: 5-bromo-8-(imidazol-1-ylmethyl)chromen-4-one
Canonical SMILES: C1=CC(=C2C(=O)C=COC2=C1CN3C=CN=C3)Br
InChI: InChI=1S/C13H9BrN2O2/c14-10-2-1-9(7-16-5-4-15-8-16)13-12(10)11(17)3-6-18-13/h1-6,8H,7H2
InChIKey: QYFIAVSWVXIKAW-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	A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 2001 Mar 1;44(5):672-80.