Compound Detail
CHEMBL4448705
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COc1ccc2c(c1OCc1ccccc1)C[C@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2
Basic Information
| ChEMBL ID | CHEMBL4448705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHBCIXGRCZIPNQ-HHHXNRCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
5.44
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of human AT1 receptor | 32030982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32030982 | 10.1021/acs.jmedchem.9b01780 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine