Compound Detail
CHEMBL294140
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Basic Information
| ChEMBL ID | CHEMBL294140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRABLLLJRFEPSX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
5.55
ALogP
7
HBA
2
HBD
114.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 620.0 | nM | 6.21 | Displacement of [125 I]-AII (0.2 nM) from bovine adrenal cortical membrane angio... | - |
| Unchecked | IC50 | = | 620.0 | nM | 6.21 | Inhibition of specific binding of [125I]angiotensin II (0.2 nM) to angiotensin I... | 8978851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00319-O | Rattus norvegicus | 2 |
| 8978851 | 10.1021/jm960547h | Angiotensin II receptor | 2 |
| - | 10.1016/0960-894X(95)00319-O | Type-1 angiotensin II receptor | 1 |
| 8978851 | 10.1021/jm960547h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine