Details of the Drug

General Information of Drug (ID: DM2P9L5)

Drug Name

2-(4-Amino-phenyl)-benzo[h]chromen-4-one

Synonyms

CHEMBL179276; 2-(4-Amino-phenyl)-benzo[h]chromen-4-one; BDBM50159660

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)

287.3

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H13NO2
IUPAC Name: 2-(4-aminophenyl)benzo[h]chromen-4-one
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CC=C(C=C4)N
InChI: InChI=1S/C19H13NO2/c20-14-8-5-13(6-9-14)18-11-17(21)16-10-7-12-3-1-2-4-15(12)19(16)22-18/h1-11H,20H2
InChIKey: JXHKSKYNJHBJDZ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA-dependent protein kinase catalytic (PRKDC)	TTK3PY9	PRKDC_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and... J Med Chem. 2005 Jan 27;48(2):569-85.