TEZOSENTAN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 64J9J55263

Structure
InChI Key TUYWTLTWNJOZNY-UHFFFAOYSA-N
Smile COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO
InChI
InChI=1S/C27H27N9O6S/c1-16(2)18-8-9-22(29-15-18)43(38,39)34-26-23(42-21-7-5-4-6-20(21)40-3)27(41-13-12-37)31-24(30-26)17-10-11-28-19(14-17)25-32-35-36-33-25/h4-11,14-16,37H,12-13H2,1-3H3,(H,30,31,34)(H,32,33,35,36)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H27N9O6S
Molecular Weight 605.64
AlogP 3.21
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 200.11
Molecular species ACID
Aromatic Rings 5.0
Heavy Atoms 43.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Endothelin receptor ET-A antagonist PubMed PubMed 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
- 18-23 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 3 D006333 ClinicalTrials
Hypertension, Pulmonary 2 D006976 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 180384-57-0
ChEMBL CHEMBL61780
DrugBank DB06558
EPA CompTox DTXSID20170956
FDA SRS 64J9J55263
PubChem 151174
SureChEMBL SCHEMBL4524
ZINC ZINC000003954692
CONTENTS