Compound Detail
CHEMBL289803
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CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CCC)nc3ccc(NC(C)=O)cc3c2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL289803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQOXIXVDVWJIOU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
652.8
MW (Da)
6.50
ALogP
9
HBA
2
HBD
136.5
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 6.14 | 6.14 | 728.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | Ki | = | 17.0 | nM | 7.77 | Binding affinity at Angiotensin II receptor, type 2 in pig uterus myometrial mem... | 14998339 |
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 728.0 | nM | 6.14 | Binding affinity at Angiotensin II receptor, type 1 in rat liver membranes by [1... | 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