Compound Detail
CHEMBL292802
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Basic Information
| ChEMBL ID | CHEMBL292802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQBUPYPWHBIMNX-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
487.3
MW (Da)
3.56
ALogP
9
HBA
1
HBD
117.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 8.05 | 8.05 | 8.9 | 2 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 5.24 | 5.24 | 5700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 8.9 | nM | 8.05 | Inhibition of I-ET-1 binding to human Endothelin A receptor | - |
| Endothelin-1 receptor | IC50 | = | 8.9 | nM | 8.05 | In vitro binding affinity in a radioligand binding experiment by competition wit... | - |
| Endothelin receptor type B | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of I-ET-1 binding to human Endothelin B receptor | - |
| Endothelin receptor type B | IC50 | = | 5740.0 | nM | 5.24 | In vitro binding affinity in a radioligand binding experiment by competition wit... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00132-7 | Endothelin-1 receptor | 1 |
| - | 10.1016/S0960-894X(97)00132-7 | Endothelin receptor type B | 1 |
| - | 10.1016/S0960-894X(97)00133-9 | Endothelin-1 receptor | 1 |
| - | 10.1016/S0960-894X(97)00367-3 | Endothelin-1 receptor | 1 |
| - | 10.1016/S0960-894X(97)00367-3 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine