Compound Detail
CHEMBL42979
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Basic Information
| ChEMBL ID | CHEMBL42979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOWVHDKXSQIRDC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
5.93
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 5.82 | 5.82 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase 1, rat liver ... | 7752185 |
| Sterol O-acyltransferase 1 | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibitory activity against acyl-coenzyme A:cholesterol acyltransferase... | 8648610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752185 | 10.1021/jm00010a004 | Cricetinae gen. sp. | 2 |
| 8648610 | 10.1021/jm950833d | Sterol O-acyltransferase 1 | 2 |
| 7752185 | 10.1021/jm00010a004 | Sterol O-acyltransferase 1 | 1 |
| 8648610 | 10.1021/jm950833d | Cricetinae gen. sp. | 1 |
Data from ChEMBL 36 via Core Engine