Compound Detail
CHEMBL340778
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COc1ccc(-c2cccc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1
Basic Information
| ChEMBL ID | CHEMBL340778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQNSWFXNJVENQW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
5.53
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 40.0 | nM | 7.4 | Binding affinity towards Angiotensin II receptor, type 2 in rat isolated adrenal... | 8258820 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 10000.0 | nM | 5.0 | Binding affinity towards Angiotensin II receptor, type 1 in rat isolated adrenal... | 8258820 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258820 | 10.1021/jm00077a001 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8258820 | 10.1021/jm00077a001 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine