Compound Detail
CHEMBL348157
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CCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](C(=O)O)C1
Basic Information
| ChEMBL ID | CHEMBL348157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWTJDPDMNWYGMB-UMSFTDKQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
672.8
MW (Da)
6.68
ALogP
6
HBA
2
HBD
138.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 15.0 | nM | 7.82 | Inhibition of Angiotensin II receptor, type 1 | 8576904 |
| Type-2 angiotensin II receptor | IC50 | = | 180.0 | nM | 6.75 | Inhibition of Angiotensin II receptor, type 2 | 8576904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576904 | 10.1021/jm9504722 | Type-1 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Type-2 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine