Details of the Drug

General Information of Drug (ID: DM7T3CU)

Drug Name

4-Morpholin-4-yl-chromen-2-one

Synonyms

4-Morpholin-4-yl-chromen-2-one; 4-morpholin-4-ylchromen-2-one; CHEMBL367262; 65625-83-4; 4-morpholinyl coumarin; SMR000116476; AC1LFJN6; CBMicro_022351; Oprea1_628619; Oprea1_860966; MLS000526002; SCHEMBL11450752; 4-morpholino-2H-chromen-2-one; CTK1I2254; DTXSID30355510; MolPort-001-959-554; ZINC312514; HMS2490I17; CCG-9410; BDBM50159613; AKOS000639877; 4-(4-morpholinyl)-2H-chromen-2-one; MCULE-8859511318; BAS 01256112; BIM-0022285.P001; ST50008215; 2H-1-Benzopyran-2-one, 4-(4-morpholinyl)-; SR-01000312410; AI-204/31682008

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)

231.25

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H13NO3
IUPAC Name: 4-morpholin-4-ylchromen-2-one
Canonical SMILES: C1COCCN1C2=CC(=O)OC3=CC=CC=C32
InChI: InChI=1S/C13H13NO3/c15-13-9-11(14-5-7-16-8-6-14)10-3-1-2-4-12(10)17-13/h1-4,9H,5-8H2
InChIKey: YJXJQEJDZPLPTQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 804048
CAS Number: 65625-83-4
TTD ID: D0J7BH

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.