Compound Detail
CHEMBL114590
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Basic Information
| ChEMBL ID | CHEMBL114590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTMFSHYNCXRJGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
3.90
ALogP
5
HBA
2
HBD
110.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 950.0 | nM | 6.02 | Binding affinity for Angiotensin II receptor, type 1 measured by ability to disp... | 8230127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230127 | 10.1021/jm00074a018 | Type-1 angiotensin II receptor B | 1 |
Data from ChEMBL 36 via Core Engine