Compound Detail
CHEMBL112874
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Cc1cccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1
Basic Information
| ChEMBL ID | CHEMBL112874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPZGEWJMKJPNDQ-SANMLTNESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
4.41
ALogP
4
HBA
1
HBD
75.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 6.82 | 6.31 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 150.0 | nM | 6.82 | Binding affinity against Angiotensin II receptor, from rat adrenal gland | 1956044 |
| Angiotensin II receptor | IC50 | = | 1600.0 | nM | 5.8 | Binding affinity for rat brain Angiotensin II receptor | 1956044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1956044 | 10.1021/jm00115a014 | Angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine