Compound Detail
CHEMBL131156
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CCCC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1
Basic Information
| ChEMBL ID | CHEMBL131156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUZDSXCNJMHMMB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
4.93
ALogP
6
HBA
1
HBD
94.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.57 | 9.57 | 0.3 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.27 | nM | 9.57 | In vitro binding affinity for angiotensin II AT1 receptor in rabbit aorta | 7990105 |
| Type-2 angiotensin II receptor | IC50 | = | 3600.0 | nM | 5.44 | In vitro binding affinity for angiotensin II AT2 receptor in rat midbrain | 7990105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990105 | 10.1021/jm00050a002 | Rattus norvegicus | 2 |
| 7990105 | 10.1021/jm00050a002 | Type-1 angiotensin II receptor | 1 |
| 7990105 | 10.1021/jm00050a002 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine