Compound Detail
CHEMBL263079
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Basic Information
| ChEMBL ID | CHEMBL263079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDPOXHCJDBMWLW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
437.3
MW (Da)
3.63
ALogP
6
HBA
2
HBD
93.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL252 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 2.512 | nM | 8.6 | Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor | 9083490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9083490 | 10.1021/jm9604585 | Endothelin-1 receptor | 2 |
Data from ChEMBL 36 via Core Engine