Compound Detail
CHEMBL383581
EDONENTAN 🧪 Phase II
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🧪 Phase II
Cc1onc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)CC(C)(C)C)c1C
Basic Information
| ChEMBL ID | CHEMBL383581 |
| Name | EDONENTAN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ORJRYNKVKJAJPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
5.81
ALogP
7
HBA
1
HBD
118.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 10.0 | nM | 8.0 | Inhibitory concentration against endothelin receptor type A | 16220969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220969 | 10.1021/jm058225d | Endothelin-1 receptor | 1 |
| 16220969 | 10.1021/jm058225d | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine