Compound Detail
CHEMBL349856
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Basic Information
| ChEMBL ID | CHEMBL349856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWPGGMFJTGIQQP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
3.85
ALogP
6
HBA
2
HBD
118.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 5.8 | nM | 8.24 | In vitro inhibitory activity against Angiotensin II receptor, type 1 to displace... | - |
| Type-2 angiotensin II receptor | IC50 | = | 5800.0 | nM | 5.24 | In vitro inhibitory activity against angiotensin II (AT2) receptor to displace 1... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81124-0 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81124-0 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine