Compound Detail
CHEMBL72473
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Basic Information
| ChEMBL ID | CHEMBL72473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCPAJDRNULDARS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
4.06
ALogP
8
HBA
2
HBD
119.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin receptor type B CHEMBL1785 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Endothelin-1 receptor CHEMBL252 | 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 | = | 70.0 | nM | 7.16 | Receptor binding affinity was determined against [125I]ET1 with membranes prepar... | - |
| Endothelin-1 receptor | IC50 | = | 1500.0 | nM | 5.82 | Receptor binding affinity was determined against [125I]ET1 with recombinant huma... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00400-9 | Endothelin-1 receptor | 1 |
| - | 10.1016/S0960-894X(97)00400-9 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine