Compound Detail
CHEMBL279228
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CCCCCCCCCCC(C)(C)C(=O)Nc1c(C)c([N+](=O)[O-])c(C)c2c1OC(C)(C)C2
Basic Information
| ChEMBL ID | CHEMBL279228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTJXSPJPNGQWDN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
7.42
ALogP
4
HBA
1
HBD
81.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 36.0 | nM | 7.44 | Inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase 1 obtain... | 8632433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632433 | 10.1021/jm950828+ | Acyl-CoA:cholesterol acyltransferase | 1 |
Data from ChEMBL 36 via Core Engine