Compound Detail
CHEMBL52601
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Basic Information
| ChEMBL ID | CHEMBL52601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJIPBRSHYVEYAD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
3.23
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 5.57 | 5.57 | 2700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 2700.0 | nM | 5.57 | In vitro for inhibition of [125I]-angiotensin II (0.1 nM) binding to angiotensin... | 8568823 |
| Type-1 angiotensin II receptor | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of [125l]-All binding to bovine adrenal cortex | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568823 | 10.1021/jm950450f | Type-1 angiotensin II receptor | 1 |
| 8568823 | 10.1021/jm950450f | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81143-4 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81143-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine