Compound Detail
CHEMBL1628688
ZIBOTENTAN 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL1628688 |
| Name | ZIBOTENTAN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | FJHHZXWJVIEFGJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
3
Known Names
14
Indications
1
Mechanisms
Molecular Properties
424.4
MW (Da)
2.71
ALogP
9
HBA
1
HBD
133.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Endothelin receptor ET-A antagonist | ANTAGONIST | Endothelin-1 receptor | ✓ | ✓ |
Indications
Prostatic Neoplasms, Castration-Resistant Breast Neoplasms Carcinoma, Non-Small-Cell Lung Colorectal Neoplasms Intermittent Claudication Liver Cirrhosis Lung Neoplasms Neoplasm Metastasis Ovarian Neoplasms Peripheral Arterial Disease Prostatic Neoplasms Renal Insufficiency, Chronic Liver Diseases Neoplasms
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 21.0 | nM | 7.68 | Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membra... | 27321813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 27321813 | 10.1016/j.bmcl.2016.06.014 | Endothelin-1 receptor | 1 |
| 27321813 | 10.1016/j.bmcl.2016.06.014 | Endothelin receptor type B | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine