Details of the Drug

General Information of Drug (ID: DMGQX1I)

Drug Name

2-(piperidin-1-yl)-4H-benzo[h]chromen-4-one

Synonyms

K 12212; BRN 0415699; 4H-Naphtho(1,2-b)pyran-4-one, 2-(1-piperidinyl)-; CHEMBL367468; 2-(1-Piperidinyl)-4H-naphtho(1,2-b)pyran-4-one; 2-(N-Piperidil)-4-oxo-4H-nafto(1,2-b)pirano [Italian]; 61035-05-0; AC1MIJ0F; 2-(piperidin-1-yl)-4H-benzo[h]chromen-4-one; 2-(N-Piperidil)-4-oxo-4H-nafto(1,2-b)pirano; SCHEMBL3538224; DTXSID60209911; BDBM50159645; 2-piperidin-1-ylbenzo[h]chromen-4-one; LS-95581

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)

279.3

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H17NO2
IUPAC Name: 2-piperidin-1-ylbenzo[h]chromen-4-one
Canonical SMILES: C1CCN(CC1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
InChI: InChI=1S/C18H17NO2/c20-16-12-17(19-10-4-1-5-11-19)21-18-14-7-3-2-6-13(14)8-9-15(16)18/h2-3,6-9,12H,1,4-5,10-11H2
InChIKey: MAIHLQWUOLIOEP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3045697
CAS Number: 61035-05-0
TTD ID: D0B9EZ

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)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of potent chromen-4-one inhibitors of the DNA-dependent protein kinase (DNA-PK) using a small-molecule library approach. J Med Chem. 2005 Dec 1;48(24):7829-46.