Compound Detail
CHEMBL45333
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Basic Information
| ChEMBL ID | CHEMBL45333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEDKAJSKQLONJR-SEYXRHQNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.7
MW (Da)
7.48
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 9400.0 | nM | 5.03 | Concentration required for the in vitro inhibition of Acyl coenzyme A:cholestero... | - |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 9400.0 | nM | 5.03 | Acyl coenzyme A:cholesterol acyltransferase (ACAT), inhibition by incubation wit... | 8496932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00024-N | Sterol O-acyltransferase 1 | 1 |
| - | 10.1016/0960-894X(95)00024-N | Rattus norvegicus | 1 |
| 8496932 | 10.1021/jm00063a016 | Acyl-CoA:cholesterol acyltransferase | 1 |
Data from ChEMBL 36 via Core Engine