Compound Detail
CHEMBL148719
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Basic Information
| ChEMBL ID | CHEMBL148719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSKHGCPUJBTSRI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.94
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | Ki | 8.17 | 8.17 | 6.7 | 1 |
| Endothelin receptor type B CHEMBL1785 | Ki | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | Ki | = | 6.7 | nM | 8.17 | Binding affinity to CHO cells stably expressing human Endothelin A receptor. | 11844662 |
| Endothelin receptor type B | Ki | = | 9400.0 | nM | 5.03 | 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