Details of the Drug

General Information of Drug (ID: DMEUQFG)

Drug Name

PMID21939274C1

Synonyms

GTPL5743

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

402.4

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C22H22N6O2
IUPAC Name: propan-2-yl 4-(3-cyano-5-quinoxalin-6-ylpyridin-2-yl)piperazine-1-carboxylate
Canonical SMILES: CC(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=N2)C3=CC4=NC=CN=C4C=C3)C#N
InChI: InChI=1S/C22H22N6O2/c1-15(2)30-22(29)28-9-7-27(8-10-28)21-17(13-23)11-18(14-26-21)16-3-4-19-20(12-16)25-6-5-24-19/h3-6,11-12,14-15H,7-10H2,1-2H3
InChIKey: UVINGSLSDLUGKX-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucose-dependent insulinotropic receptor (GPR119)	TT7QNVC	GP119_HUMAN	Agonist	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Oxidative metabolism of a quinoxaline derivative by xanthine oxidase in rodent plasma. Chem Res Toxicol. 2011 Dec 19;24(12):2207-16.