Compound Detail
CHEMBL329679
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CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F
Basic Information
| ChEMBL ID | CHEMBL329679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJAYGOBKVFNIEL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
687.1
MW (Da)
7.02
ALogP
7
HBA
1
HBD
103.1
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.15 | nM | 9.82 | In vitro ability to inhibit the binding of radioligand 125I[Sar1,IIe8]AII to AT1... | - |
| Type-2 angiotensin II receptor | IC50 | = | 12.0 | nM | 7.92 | 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