Compound Detail
CHEMBL311018
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CCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCc2cccc(C(=O)c3ccccc3)c2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL311018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBMSATXCNSGHNA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
725.8
MW (Da)
7.67
ALogP
9
HBA
1
HBD
133.7
PSA (Ų)
0.09
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.3 | nM | 9.52 | Binding affinity for Angiotensin II receptor, type 1 | - |
| Type-2 angiotensin II receptor | IC50 | = | 10.0 | nM | 8.0 | Binding affinity for angiotensin II AT-2 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80077-3 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80077-3 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine