Compound Detail
CHEMBL289306
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CCCCC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1
Basic Information
| ChEMBL ID | CHEMBL289306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQLIRQNFEHXWNL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
566.8
MW (Da)
6.58
ALogP
7
HBA
1
HBD
94.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 34.0 | nM | 7.47 | Binding affinity at Angiotensin II receptor, type 1 in rat liver membranes by [1... | 14998339 |
| Type-2 angiotensin II receptor | Ki | = | 400.0 | nM | 6.4 | Binding affinity at Angiotensin II receptor, type 2 in pig uterus myometrial mem... | 14998339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14998339 | 10.1021/jm031031i | Angiotensin II receptor (AT-1) type-1 | 1 |
| 14998339 | 10.1021/jm031031i | Type-2 angiotensin II receptor | 1 |
| 14998339 | 10.1021/jm031031i | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine