Compound Detail
CHEMBL274712
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CCCCCCCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCCC)nn(-c3ccccc3C(F)(F)F)c2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL274712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEZRQMGQHANOOE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
656.8
MW (Da)
7.28
ALogP
7
HBA
1
HBD
103.1
PSA (Ų)
0.14
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.54 | 8.54 | 2.9 | 2 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 2.9 | nM | 8.54 | In vitro inhibitory activity against angiotensin II rabbit aorta AT1 receptor us... | 8064808 |
| Type-1 angiotensin II receptor | IC50 | = | 2.9 | nM | 8.54 | Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor... | - |
| Type-2 angiotensin II receptor | IC50 | = | 450.0 | nM | 6.35 | In vitro inhibitory activity against angiotensin II rat midbrain AT2 receptor us... | 8064808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81132-X | Rattus norvegicus | 2 |
| 8064808 | 10.1021/jm00043a020 | Type-1 angiotensin II receptor | 1 |
| 8064808 | 10.1021/jm00043a020 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81132-X | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine