ZIBOTENTAN

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Synonyms
Status
Molecule Category Free-form
UNII 8054MM4902

Structure

InChI Key FJHHZXWJVIEFGJ-UHFFFAOYSA-N
Smiles 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

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
- 21 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 21 - - -

Target Conservation

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

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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