Compound Detail
CHEMBL96836
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Basic Information
| ChEMBL ID | CHEMBL96836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVOMQTPPDOOUJA-STZFKDTASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.80
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelin-1 receptor CHEMBL4566 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | IC50 | = | 20000.0 | nM | 4.7 | Concentration required to inhibit 50% Et-1 binding to endothelin A receptor in r... | 9667965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667965 | 10.1021/jm970847e | Endothelin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine