Compound Detail
CHEMBL429058
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CCCCc1nn(CC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL429058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHBYHMXNLNDBNI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
560.7
MW (Da)
5.27
ALogP
7
HBA
1
HBD
103.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 3.3 | nM | 8.48 | Displacement of 125I[Sar,Ile] from rabbit aorta membrane Angiotensin II receptor... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81132-X | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)81132-X | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine