Compound Detail
CHEMBL86067
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CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C(=O)NS(=O)(=O)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL86067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQRXXTCBSSCFHZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
538.1
MW (Da)
5.21
ALogP
6
HBA
2
HBD
101.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 140.0 | nM | 6.85 | Inhibition of radioligand [3H]angiotensin II binding to angiotensin II receptor ... | 1875348 |
| Type-2 angiotensin II receptor | IC50 | = | 140.0 | nM | 6.85 | Antagonist activity at angiotensin 2 receptor | 21413808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1875348 | 10.1021/jm00112a031 | Rattus norvegicus | 2 |
| 1875348 | 10.1021/jm00112a031 | No relevant target | 1 |
| 1875348 | 10.1021/jm00112a031 | Angiotensin II receptor | 1 |
| 21413808 | 10.1021/jm1013693 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine