Compound Detail
CHEMBL23261
DARUSENTAN 🧪 Phase III
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL23261 |
| Name | DARUSENTAN |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | FEJVSJIALLTFRP-LJQANCHMSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
3
Known Names
1
Indications
2
Mechanisms
Molecular Properties
410.4
MW (Da)
2.92
ALogP
7
HBA
1
HBD
100.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Endothelin receptor ET-A antagonist | ANTAGONIST | Endothelin-1 receptor | ✓ | ✓ |
| Endothelin receptor ET-B antagonist | ANTAGONIST | Endothelin receptor type B | ✓ | ✓ |
Indications
Hypertension
Activity Summary
Ki 3 meas. best 8.22
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Endothelin-1 receptor CHEMBL252 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Endothelin-1 receptor CHEMBL4566 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Endothelin receptor type B CHEMBL1785 | Ki | 6.43 | 6.43 | 371.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 0.8 | nM | 9.1 | Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) recepto... | 11755336 |
| Endothelin-1 receptor | Ki | = | 6.0 | nM | 8.22 | Binding affinity towards Endothelin A receptor | 15055997 |
| Endothelin-1 receptor | Ki | = | 6.0 | nM | 8.22 | Displacement of [125I]-ET-1 from human ETA receptor expressed in CHO cell membra... | 27321813 |
| Endothelin receptor type B | IC50 | = | 16.0 | nM | 7.8 | Binding affinity towards human cloned endothelin B receptor by [125I]ET1 displac... | 11755336 |
| Endothelin receptor type B | Ki | = | 371.0 | nM | 6.43 | Displacement of [125I]-ET-1 from human ETB receptor expressed in CHO cell membra... | 27321813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 10447946 | 10.1021/jm9910425 | Rattus norvegicus | 2 |
| 10447946 | 10.1021/jm9910425 | Endothelin receptor, ET-A/ET-B | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 15055997 | 10.1021/jm030528p | Endothelin-1 receptor | 1 |
| 15055997 | 10.1021/jm030528p | Endothelin receptor | 1 |
| 11755336 | 10.1016/s0960-894x(01)00660-6 | Endothelin-1 receptor | 1 |
| 11755336 | 10.1016/s0960-894x(01)00660-6 | Endothelin receptor type B | 1 |
| - | 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 |
Data from ChEMBL 36 via Core Engine