Compound Detail
CHEMBL147365
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Basic Information
| ChEMBL ID | CHEMBL147365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBQXMKQAIAUNQN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
4.23
ALogP
8
HBA
1
HBD
116.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Endothelin receptor type B CHEMBL1785 | Ki | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 220.0 | nM | 6.66 | Binding affinity to CHO cells stably expressing human Endothelin A receptor. | 11844662 |
| Endothelin receptor type B | Ki | = | 48000.0 | nM | 4.32 | Binding affinity to CHO cells stably expressing human Endothelin B receptor. | 11844662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844662 | 10.1016/s0960-894x(01)00791-0 | Endothelin-1 receptor | 2 |
| 11844662 | 10.1016/s0960-894x(01)00791-0 | Endothelin receptor type B | 1 |
| 11844662 | 10.1016/s0960-894x(01)00791-0 | Endothelin receptor, ET-A/ET-B | 1 |
Data from ChEMBL 36 via Core Engine