SETANAXIB

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 45II35329V

Structure
InChI Key RGYQPQARIQKJKH-UHFFFAOYSA-N
Smile CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H19ClN4O2
Molecular Weight 394.86
AlogP 3.4
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 63.03
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR NADPH oxidase 1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - 110 -
Enzyme Transferase
- - - - 2.444-13.88
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -39.19--4.44
Transporter Transmembrane 1-electron transfer carriers
- - - 140 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Idiopathic Pulmonary Fibrosis 2 D054990 ClinicalTrials
Liver Cirrhosis, Biliary 2 D008105 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Nephritis, Hereditary 1 D009394 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4303187
EPA CompTox DTXSID30153432
FDA SRS 45II35329V
Guide to Pharmacology 9932
PubChem 58496428
SureChEMBL SCHEMBL1302603
ZINC ZINC000095670835
CONTENTS