Compound Detail
CHEMBL145276
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CCCCc1nc(C)c(C(=O)OCC)c(=O)n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL145276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWLKGTLUOFXIKC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1205758 |
| Active Moiety | CHEMBL1205758 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
4.48
ALogP
6
HBA
1
HBD
98.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | Ki | = | 150.0 | nM | 6.82 | Inhibition of [125I]- Sar,Ile8-angiotensin II binding to rat adrenal cortical me... | 1469703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1469703 | 10.1021/jm00103a014 | Type-1 angiotensin II receptor B | 1 |
| 1469703 | 10.1021/jm00103a014 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine