Compound Detail
CHEMBL316299
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CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL316299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGUYQWOEKYEDNB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
711.2
MW (Da)
7.84
ALogP
7
HBA
1
HBD
103.1
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 1.3 | nM | 8.89 | In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1... | - |
| Type-2 angiotensin II receptor | IC50 | = | 14.0 | nM | 7.85 | In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT2... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80595-3 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80595-3 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80595-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine