setanaxib   Click here for help

GtoPdb Ligand ID: 9932

Synonyms: GKT-137831 | GKT-831 | GKT137831 | GKT831 [3]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Setanaxib (GKT137831) is an investigational dual NOX1/NOX4 inhibitor [1]. It has shown anti-inflammatory activity in models of liver fibrosis [1] and retinopathy [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 62.51
Molecular weight 394.12
XLogP 5.42
No. Lipinski's rules broken 1
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Canonical SMILES Clc1ccccc1n1[nH]c2c(c1=O)c(c1cccc(c1)N(C)C)n(c(=O)c2)C
Isomeric SMILES Clc1ccccc1n1[nH]c2c(c1=O)c(c1cccc(c1)N(C)C)n(c(=O)c2)C
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11037 setanaxib
Synonyms Click here for help
GKT-137831 | GKT-831 | GKT137831 | GKT831 [3]
Database Links Click here for help
GtoPdb PubChem SID 363894226
PubChem CID 58496428
Search Google for chemical match using the InChIKey RGYQPQARIQKJKH-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey RGYQPQARIQKJKH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RGYQPQARIQKJKH-UHFFFAOYSA-N