Compound Detail
CHEMBL90320
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Basic Information
| ChEMBL ID | CHEMBL90320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARDXPWJWTGZJGO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
5.49
ALogP
5
HBA
1
HBD
79.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | IC50 | 8.15 | 8.125 | 7.0 | 2 |
| Endothelin receptor type B CHEMBL4631 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 7.0 | nM | 8.15 | In vitro inhibition of [125I]ET1 binding to rat A10 cell Endothelin A receptor. | 9667964 |
| Endothelin-1 receptor | IC50 | = | 8.0 | nM | 8.1 | Concentration required to inhibit 50% Et-1 binding to endothelin A receptor in r... | 9667965 |
| Endothelin receptor type B | IC50 | = | 5000.0 | nM | 5.3 | In vitro inhibition of [125I]ET1 binding to rat cerebellum Endothelin B receptor... | 9667964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667965 | 10.1021/jm970847e | Endothelin-1 receptor | 1 |
| 9667964 | 10.1021/jm9707131 | Endothelin-1 receptor | 1 |
| 9667964 | 10.1021/jm9707131 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine