Details of the Drug

General Information of Drug (ID: DM29L4D)

Drug Name

8-Phenyl-2-piperidin-1-yl-chromen-4-one

Synonyms

CHEMBL176064; 8-Phenyl-2-piperidin-1-yl-chromen-4-one; SCHEMBL259239

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

305.4

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H19NO2
IUPAC Name: 8-phenyl-2-piperidin-1-ylchromen-4-one
Canonical SMILES: C1CCN(CC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C20H19NO2/c22-18-14-19(21-12-5-2-6-13-21)23-20-16(10-7-11-17(18)20)15-8-3-1-4-9-15/h1,3-4,7-11,14H,2,5-6,12-13H2
InChIKey: OSJZAQVQDRSBPT-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]

------------------------------------------------------------------------------------

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.