Compound Detail
CHEMBL163356
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CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL163356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKEQBOZJOQARPY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
8.20
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 67.0 | nM | 7.17 | In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00098-4 | Acyl-CoA:cholesterol acyltransferase | 1 |
| - | 10.1016/0960-894X(96)00098-4 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine