AVOSENTAN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: L94KSX715K

Structure
InChI Key YBWLTKFZAOSWSM-UHFFFAOYSA-N
Smile COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC
InChI
InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H21N5O5S
Molecular Weight 479.52
AlogP 3.85
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 125.42
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Endothelin receptor ET-A antagonist PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Endothelin receptor
- 1-3 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Nephropathies 3 D003928 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3989834
EPA CompTox DTXSID30183330
FDA SRS L94KSX715K
Guide to Pharmacology 8260
PubChem 9912992
SureChEMBL SCHEMBL2742679
ZINC ZINC000000602818
CONTENTS