Compound Detail
CHEMBL53168
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Basic Information
| ChEMBL ID | CHEMBL53168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPVSUEYVMGRIIR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
4.47
ALogP
7
HBA
2
HBD
101.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin receptor type B CHEMBL3949 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
| Endothelin-1 receptor CHEMBL4566 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin receptor type B | IC50 | = | 430.0 | nM | 6.37 | Binding affinity towards displacement of [125 I] ET-3 from COS-7 cells transfect... | 10969989 |
| Endothelin-1 receptor | IC50 | = | 770.0 | nM | 6.11 | Displacement of [125 I] ET-1 from rat aortic smooth muscle A7r5 cells transfecte... | 10969989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10969989 | 10.1016/s0960-894x(00)00366-8 | Endothelin-1 receptor | 1 |
| 10969989 | 10.1016/s0960-894x(00)00366-8 | Endothelin receptor type B | 1 |
| 10969989 | 10.1016/s0960-894x(00)00366-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine