CLAZOSENTAN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3DRR0X4728

Structure
InChI Key LFWCJABOXHSRGC-UHFFFAOYSA-N
Smile COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO
InChI
InChI=1S/C25H23N9O6S/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23/h3-10,13-14,35H,11-12H2,1-2H3,(H,28,29,32)(H,30,31,33,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H23N9O6S
Molecular Weight 577.58
AlogP 2.39
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 200.11
Molecular species ACID
Aromatic Rings 5.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Endothelin receptor ET-A antagonist PubMed
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
- 175 - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Subarachnoid Hemorrhage 3 D013345 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 180384-56-9
ChEMBL CHEMBL109648
DrugBank DB06677
EPA CompTox DTXSID60170955
FDA SRS 3DRR0X4728
PubChem 6433095
SureChEMBL SCHEMBL1652657
ZINC ZINC000003939238
CONTENTS