Compound Detail
CHEMBL276173
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Basic Information
| ChEMBL ID | CHEMBL276173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSQBMBUQIJTXOS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
4.48
ALogP
6
HBA
0
HBD
63.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 300.0 | nM | 6.52 | Binding affinity against human cloned endothelin A receptor expressed in LTK-cel... | 9089328 |
| Endothelin-1 receptor | IC50 | = | 300.0 | nM | 6.52 | Binding affinity for human Endothelin A receptor expressed in LtK- cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9089328 | 10.1021/jm9606507 | Endothelin-1 receptor | 1 |
| 9089328 | 10.1021/jm9606507 | Endothelin receptor type B | 1 |
| - | 10.1016/S0960-894X(97)00002-4 | Endothelin-1 receptor | 1 |
| - | 10.1016/S0960-894X(97)00002-4 | Endothelin receptor type B | 1 |
Data from ChEMBL 36 via Core Engine