Compound Detail
CHEMBL165572
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O=S(=O)(Nc1ccccc1-c1ccc(CNc2nc(C(F)(F)F)nc3c2CCCC3)cc1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL165572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FENHKXVPGQPENW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
5.91
ALogP
5
HBA
2
HBD
84.0
PSA (Ų)
0.39
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 100.0 | nM | 7.0 | Competitive inhibition of Angiotensin II receptor binding of radiolabeled AII to... | - |
| Type-2 angiotensin II receptor | IC50 | = | 100.0 | nM | 7.0 | Antagonist activity at angiotensin 2 receptor | 21413808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81269-5 | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81269-5 | Rattus norvegicus | 1 |
| 21413808 | 10.1021/jm1013693 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine