Compound Detail
CHEMBL165354
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CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL165354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSPMQQSXRJFYNN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
552.0
MW (Da)
5.41
ALogP
6
HBA
2
HBD
118.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibitory activity against Angiotensin II receptor, type 1 to displace... | - |
| Type-2 angiotensin II receptor | IC50 | = | 2.0 | nM | 8.7 | Antagonist activity at angiotensin 2 receptor | 21413808 |
| Type-2 angiotensin II receptor | IC50 | = | 9500.0 | nM | 5.02 | 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 |
| 21413808 | 10.1021/jm1013693 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine