Compound Detail
CHEMBL24512
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CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL24512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVBWRYQRNWJJFZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
587.0
MW (Da)
5.16
ALogP
7
HBA
2
HBD
119.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 500.0 | nM | 6.3 | Inhibitory concentration that gives 50% displacement of specific binding at labe... | 12593652 |
| Angiotensin II receptor | IC50 | = | 500.0 | nM | 6.3 | Inhibitory concentration that gave 50 percent displacement of specific binding o... | 2329553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12593652 | 10.1021/jm021032v | Angiotensin II receptor (AT-1) type-1 | 1 |
| 2329553 | 10.1021/jm00167a007 | Angiotensin II receptor | 1 |
| 2329553 | 10.1021/jm00167a007 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine