Compound Detail
CHEMBL348126
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CCCCCN(C(=O)NC)c1ccc2nc(CCCC)n(Cc3ccc(NC(=O)c4c(Cl)ccc(Cl)c4C(=O)O)cc3)c2c1
Basic Information
| ChEMBL ID | CHEMBL348126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHWGRXBJGUEATA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
638.6
MW (Da)
8.02
ALogP
5
HBA
3
HBD
116.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Ki | = | 20.0 | nM | 7.7 | Ki value was evaluated against Angiotensin II receptor, type 1 | 8576904 |
| Type-2 angiotensin II receptor | Ki | = | 730.0 | nM | 6.14 | Ki value was evaluated against 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