Details of the Drug

General Information of Drug (ID: DMOVB3Y)

Drug Name
GKT-137831
Synonyms GKT-01; NADPH oxidase inhibitor (oral, renal cancer/ idiopathic pulmonary fibrosis), GenKyoTex
Indication
Disease Entry ICD 11 Status REF
Fibrosis GA14-GC01 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 394.9
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H19ClN4O2
IUPAC Name
2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
Canonical SMILES
CN1C(=O)C=C2C(=C1C3=CC(=CC=C3)N(C)C)C(=O)N(N2)C4=CC=CC=C4Cl
InChI
InChI=1S/C21H19ClN4O2/c1-24(2)14-8-6-7-13(11-14)20-19-16(12-18(27)25(20)3)23-26(21(19)28)17-10-5-4-9-15(17)22/h4-12,23H,1-3H3
InChIKey
RGYQPQARIQKJKH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
58496428
CAS Number
1218942-37-0
TTD ID
D04XVU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
NADPH oxidase (NOX) TTFQVUT NOUNIPROTAC Modulator [2]
NADPH oxidase 4 (NOX4) TTQRBSJ NOX4_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02010242) Safety and Efficacy of Oral GKT137831 in Patient With Type 2 Diabetes and Albuminuria. U.S. National Institutes of Health.
2 Nicotinamide Adenine Dinucleotide Phosphate Oxidase (NOX) in Experimental Liver Fibrosis: GKT137831 as a Novel Potential Therapeutic Agent. Hepatology. 2012 December; 56(6): 2316-2327.