Compound Detail
CHEMBL54703
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Basic Information
| ChEMBL ID | CHEMBL54703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBPCXVPSGWYZGG-MFKUBSTISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
5.72
ALogP
8
HBA
2
HBD
114.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin receptor type B CHEMBL3949 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| Endothelin-1 receptor CHEMBL4566 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin receptor type B | IC50 | = | 85.0 | nM | 7.07 | Binding affinity towards displacement of [125 I] ET-3 from COS-7 cells transfect... | 10969989 |
| Endothelin-1 receptor | IC50 | = | 1500.0 | nM | 5.82 | 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