Compound Detail
CHEMBL158557
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COc1ccc2c(c1OCc1ccc(C(=O)O)cc1)CC(C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2
Basic Information
| ChEMBL ID | CHEMBL158557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADYTVTJZRCKUAV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.6
MW (Da)
5.14
ALogP
5
HBA
2
HBD
113.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 750.0 | nM | 6.12 | Inhibitory activity against angiotensin II type 2 (AT2) receptor in rabbit uteri... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81122-7 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine