Compound Detail
CHEMBL334431
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Basic Information
| ChEMBL ID | CHEMBL334431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTKWUYYSYAHRHC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
5.09
ALogP
6
HBA
1
HBD
100.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL1671613 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 60.0 | nM | 7.22 | In vitro inhibition of the specific binding of [125I]angiotensin II to a guinea ... | 1433210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433210 | 10.1021/jm00100a007 | Type-1 angiotensin II receptor | 1 |
| 1433210 | 10.1021/jm00100a007 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine