Compound Detail
CHEMBL10374
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Basic Information
| ChEMBL ID | CHEMBL10374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGMHXYMWOLAIMX-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.13
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 7.3 | 7.2933 | 50.0 | 3 |
| Endothelin receptor type B CHEMBL1785 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Endothelin receptor type B CHEMBL4631 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 50.0 | nM | 7.3 | Tested for antagonistic activity against Endothelin A receptor in the rabbit ren... | 7731010 |
| Endothelin-1 receptor | IC50 | = | 51.0 | nM | 7.29 | Antagonistic activity against human Endothelin A receptor expressed in LtK | 7731010 |
| Endothelin-1 receptor | IC50 | = | 51.0 | nM | 7.29 | Binding affinity against human cloned endothelin A receptor expressed in LTK-cel... | 9089328 |
| Endothelin receptor type B | IC50 | = | 390.0 | nM | 6.41 | Tested for antagonistic activity against Endothelin B receptor in the humans (CH... | 7731010 |
| Endothelin receptor type B | IC50 | = | 4500.0 | nM | 5.35 | Tested for antagonistic activity against Endothelin B receptor in the rat cerebe... | 7731010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7731010 | 10.1021/jm00008a002 | Endothelin-1 receptor | 2 |
| 7731010 | 10.1021/jm00008a002 | Endothelin receptor type B | 2 |
| 9089328 | 10.1021/jm9606507 | Endothelin-1 receptor | 1 |
| 9089328 | 10.1021/jm9606507 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine