Compound Detail
CHEMBL275991
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Basic Information
| ChEMBL ID | CHEMBL275991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTADCEYWHLRYOB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
455.3
MW (Da)
5.12
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 6.4 | 6.35 | 400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 400.0 | nM | 6.4 | Antagonistic activity against human Endothelin A receptor expressed in LtK | 7731010 |
| Endothelin-1 receptor | IC50 | = | 400.0 | nM | 6.4 | Binding affinity against human cloned endothelin A receptor expressed in LTK-cel... | 9089328 |
| Endothelin-1 receptor | IC50 | = | 560.0 | nM | 6.25 | Tested for antagonistic activity against Endothelin A receptor in the rabbit ren... | 7731010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7731010 | 10.1021/jm00008a002 | Endothelin-1 receptor | 2 |
| 7731010 | 10.1021/jm00008a002 | Endothelin receptor type B | 1 |
| 9089328 | 10.1021/jm9606507 | Endothelin-1 receptor | 1 |
| 9089328 | 10.1021/jm9606507 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine