Compound Detail
CHEMBL25677
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CCCCc1nc(Cl)c(COC)n1Cc1ccc(N(C)C(=O)c2c(Cl)ccc(Cl)c2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL25677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWIGAQDPARORML-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.9
MW (Da)
6.36
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.32
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 5700.0 | nM | 5.24 | Inhibitory concentration that gave 50 percent displacement of specific binding o... | 2329553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2329553 | 10.1021/jm00167a007 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine