Compound Detail
CHEMBL1744348
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C1CCC(NC2CCCCC2)CC1.CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL1744348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQEDYBZRWPPJKG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL25349 |
| Active Moiety | CHEMBL25349 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.8
MW (Da)
5.90
ALogP
6
HBA
2
HBD
110.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 18.0 | nM | 7.75 | Inhibitory concentration that gave 50 percent displacement of specific binding o... | 2329553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2329553 | 10.1021/jm00167a007 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine