CLAZOSENTAN

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Synonyms
Status
Molecule Category Free-form
UNII 3DRR0X4728
EPA CompTox DTXSID60170955

Structure

InChI Key LFWCJABOXHSRGC-UHFFFAOYSA-N
Smiles COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[nH]3)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

Mechanism of Action Action Reference
Endothelin receptor ET-A antagonist 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
- 1.7-175 - 0.13-175 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.7-175 - - -

Target Conservation

Protein: Endothelin receptor ET-A
Description: Endothelin-1 receptor
Organism : Homo sapiens
P25101 ENSG00000151617

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL109648
DrugBank DB06677
FDA SRS 3DRR0X4728
PubChem 6433095
SureChEMBL SCHEMBL1652657
ZINC ZINC000003939238
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