Details of the Drug

General Information of Drug (ID: DMZNML4)

Drug Name

2-(1H-indol-5-yl)-6-morpholino-4H-pyran-4-one

Synonyms

CHEMBL222745; 2-(1H-indol-5-yl)-6-morpholino-4H-pyran-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)

296.32

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C17H16N2O3
IUPAC Name: 2-(1H-indol-5-yl)-6-morpholin-4-ylpyran-4-one
Canonical SMILES: C1COCCN1C2=CC(=O)C=C(O2)C3=CC4=C(C=C3)NC=C4
InChI: InChI=1S/C17H16N2O3/c20-14-10-16(13-1-2-15-12(9-13)3-4-18-15)22-17(11-14)19-5-7-21-8-6-19/h1-4,9-11,18H,5-8H2
InChIKey: AWODDYAKSFDGCI-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	Pyranone, thiopyranone, and pyridone inhibitors of phosphatidylinositol 3-kinase related kinases. Structure-activity relationships for DNA-dependen... J Med Chem. 2007 Apr 19;50(8):1958-72.