Compound Detail
CHEMBL42998
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Basic Information
| ChEMBL ID | CHEMBL42998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHUDGJLJDDGIQV-OUKQBFOZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
415.7
MW (Da)
8.37
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 15.0 | nM | 7.82 | In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestina... | 1578488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1578488 | 10.1021/jm00087a016 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 1578488 | 10.1021/jm00087a016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine