Compound Detail
CHEMBL71388
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CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc3c(C)c(NC(=O)CCCC)cnc32)cc1
Basic Information
| ChEMBL ID | CHEMBL71388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQLVWYUXAWQXCF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
619.8
MW (Da)
6.75
ALogP
8
HBA
2
HBD
132.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
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 | 8.65 | 8.65 | 2.2 | 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 determined by its ability to displace the specific bin... | - |
| Type-2 angiotensin II receptor | IC50 | = | 2.23 | nM | 8.65 | In vitro binding affinity determined by its ability to displace the specific bin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81115-X | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81115-X | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine