Compound Detail
CHEMBL109648
CLAZOSENTAN 🧪 Phase III
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🧪 Phase III
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO
Basic Information
| ChEMBL ID | CHEMBL109648 |
| Name | CLAZOSENTAN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | LFWCJABOXHSRGC-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
2
PK Parameters
10
Publications
9
Known Names
2
Indications
1
Mechanisms
Molecular Properties
577.6
MW (Da)
2.39
ALogP
13
HBA
3
HBD
200.1
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
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
Cardiovascular Diseases Subarachnoid Hemorrhage
ATC Classification
C04AX33
clazosentan
Level 1: CARDIOVASCULAR SYSTEM
Level 2: PERIPHERAL VASODILATORS
Activity Summary
Ki 3 meas. best 9.89
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | Ki | 9.89 | 9.89 | 0.1 | 2 |
| Endothelin-1 receptor CHEMBL252 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 6.76 | 6.76 | 175.0 | 1 |
| Endothelin receptor type B CHEMBL1785 | Ki | 6.76 | 6.76 | 175.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | - | % | Rattus norvegicus |
| T1/2 | 0.8 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 0.13 | nM | 9.89 | Tested for binding affinity for human Endothelin A receptor by measuring its abi... | 9703472 |
| Endothelin-1 receptor | Ki | = | 0.13 | nM | 9.89 | Binding affinity to ETA receptor (unknown origin) assessed as inhibition constan... | 10082200 |
| Endothelin-1 receptor | IC50 | = | 1.7 | nM | 8.77 | Displacement of 125I-ET1 from ETA receptor (unknown origin) expressed in CHO cel... | 27321813 |
| Endothelin receptor type B | IC50 | = | 175.0 | nM | 6.76 | Displacement of radioligand from ETB receptor in human placenta cell membranes | 27321813 |
| Endothelin receptor type B | Ki | = | 175.0 | nM | 6.76 | Tested for binding affinity for human Endothelin B receptor by measuring its abi... | 9703472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703472 | 10.1021/jm980217s | ADMET | 2 |
| 9703472 | 10.1021/jm980217s | Endothelin-1 receptor | 1 |
| 9703472 | 10.1021/jm980217s | Endothelin receptor type B | 1 |
| 9703472 | 10.1021/jm980217s | Unchecked | 1 |
| 19603833 | 10.1021/jm9004658 | Homo sapiens | 1 |
| 27321813 | 10.1016/j.bmcl.2016.06.014 | Endothelin receptor type B | 1 |
| 27321813 | 10.1016/j.bmcl.2016.06.014 | Endothelin-1 receptor | 1 |
| 10082200 | 10.1016/s0014-2999(98)00891-7 | Unchecked | 1 |
| 10082200 | 10.1016/s0014-2999(98)00891-7 | Endothelin-1 receptor | 1 |
| 10082200 | 10.1016/s0014-2999(98)00891-7 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine