Compound Detail
CHEMBL58291
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CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(C)sc2S(=O)(=O)NC(=O)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL58291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWDCJJUOJHTKPX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
5.81
ALogP
7
HBA
1
HBD
94.0
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
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 CHEMBL3948 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 5.4 | 5.4 | 4000.0 | 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 | Inhibition of Angiotensin II receptor type 1 in rabbit aorta binding assay | - |
| Type-2 angiotensin II receptor | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of rat midbrain angiotensin II type 2 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81145-8 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81145-8 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine