Details of the Drug

General Information of Drug (ID: DMT21UX)

Drug Name

2-Pyridin-3-yl-benzo[h]chromen-4-one

Synonyms

MLS000757116; CHEMBL177938; 1939-53-3; 2-(pyridin-3-yl)-4H-benzo[h]chromen-4-one; NSC283845; 2-pyridin-3-ylbenzo[h]chromen-4-one; 2-Pyridin-3-yl-benzo[h]chromen-4-one; AC1L88Q3; CTK0E1147; DTXSID00314472; ZINC13143019; BDBM50159611; NSC-283845; SMR000449783; TX-011635; 4H-Naphtho[1,2-b]pyran-4-one, 2-(3-pyridinyl)-

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)

273.3

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H11NO2
IUPAC Name: 2-pyridin-3-ylbenzo[h]chromen-4-one
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C4=CN=CC=C4
InChI: InChI=1S/C18H11NO2/c20-16-10-17(13-5-3-9-19-11-13)21-18-14-6-2-1-4-12(14)7-8-15(16)18/h1-11H
InChIKey: RURRJHXFMININK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 323484
CAS Number: 1939-53-3
TTD ID: D0Q4GJ

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)

MIA Detail

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.