Compound Detail
CHEMBL308361
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CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CN3CCN(c4ccccn4)CC3)c2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL308361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSGPBOMLKUNVCB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
674.8
MW (Da)
5.18
ALogP
10
HBA
2
HBD
147.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 6.0 | nM | 8.22 | In vitro binding affinity of compound against Angiotensin II receptor, type 1 | - |
| Type-2 angiotensin II receptor | IC50 | = | 90.0 | nM | 7.05 | In vitro binding affinity of compound against angiotensin II AT-2 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80076-1 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80076-1 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine