ZIBOTENTAN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8054MM4902

Structure
InChI Key FJHHZXWJVIEFGJ-UHFFFAOYSA-N
Smile COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1
InChI
InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16N6O4S
Molecular Weight 424.44
AlogP 2.71
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 132.99
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 30.0

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
- 21 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Intermittent Claudication 2 D007383 ClinicalTrials
Peripheral Arterial Disease 2 D058729 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Neoplasm Metastasis 2 D009362 ClinicalTrials
Renal Insufficiency, Chronic 2 D051436 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Cross References

Resources Reference
ChEBI 94573
ChEMBL CHEMBL1628688
DrugBank DB06629
FDA SRS 8054MM4902
Guide to Pharmacology 3539
SureChEMBL SCHEMBL847090
ZINC ZINC000001491485
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