Compound Detail
CHEMBL348758
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CCCCCCCC(=O)NS(=O)(=O)Nc1ccccc1-c1ccc(Cn2c(C(=O)OC)cnc2CCCC)cc1
Basic Information
| ChEMBL ID | CHEMBL348758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROVKSMWYBKQEHD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
568.7
MW (Da)
5.86
ALogP
7
HBA
2
HBD
119.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 1.9 | nM | 8.72 | In vitro inhibitory activity against Angiotensin II receptor, type 1 to displace... | - |
| Type-2 angiotensin II receptor | IC50 | = | 500.0 | nM | 6.3 | In vitro inhibitory activity against angiotensin II (AT2) receptor to displace 1... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81124-0 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81124-0 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine