Compound Detail
CHEMBL10951
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Basic Information
| ChEMBL ID | CHEMBL10951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKZRQVZTVLKRLK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
4.41
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 6.24 | 6.2 | 570.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 570.0 | nM | 6.24 | Antagonistic activity against human Endothelin A receptor expressed in LtK | 7731010 |
| Endothelin-1 receptor | IC50 | = | 570.0 | nM | 6.24 | Binding affinity against human cloned endothelin A receptor expressed in LTK-cel... | 9089328 |
| Endothelin-1 receptor | IC50 | = | 750.0 | nM | 6.12 | Tested for antagonistic activity against Endothelin A receptor in the rabbit ren... | 7731010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7731010 | 10.1021/jm00008a002 | Endothelin-1 receptor | 2 |
| 7731010 | 10.1021/jm00008a002 | Endothelin receptor type B | 1 |
| 9089328 | 10.1021/jm9606507 | Endothelin-1 receptor | 1 |
| 9089328 | 10.1021/jm9606507 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine