Details of the Drug

General Information of Drug (ID: DMCKSX7)

Drug Name

2-Morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one

Synonyms

CHEMBL179043; 2-(morpholin-4-yl)-4h-pyrido[1,2-a]pyrimidin-4-one; 17326-31-7; NSC110390; AC1Q6IJU; AC1L6MD6; 2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one; 2-Morpholin-4-yl-pyrido[1,2-a]pyrimidin-4-one; SCHEMBL4544196; CTK4D4568; DTXSID80296606; ZINC1702791; BDBM50159642; AKOS024361168; NSC-110390; MCULE-7092692912; ST50991317

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)

0.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H13N3O2
IUPAC Name: 2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)N3C=CC=CC3=N2
InChI: InChI=1S/C12H13N3O2/c16-12-9-11(14-5-7-17-8-6-14)13-10-3-1-2-4-15(10)12/h1-4,9H,5-8H2
InChIKey: VDMRPNTZWKDYBB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 269395
CAS Number: 17326-31-7
TTD ID: D0V0SD

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.