Compound Detail
CHEMBL40519
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Basic Information
| ChEMBL ID | CHEMBL40519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYMMCKTYZLLVOG-OUKQBFOZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
447.7
MW (Da)
7.69
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.36 | 7.325 | 44.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 44.0 | nM | 7.36 | Acyl coenzyme A:cholesterol acyltransferase (ACAT), inhibition by incubation wit... | 8496932 |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 51.0 | nM | 7.29 | Tested in vitro to inhibit Acyl coenzyme A:cholesterol acyltransferase in intest... | 1578488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410971 | 10.1021/jm00070a002 | Mus musculus | 8 |
| 1578488 | 10.1021/jm00087a016 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 1578488 | 10.1021/jm00087a016 | Rattus norvegicus | 1 |
| 8496932 | 10.1021/jm00063a016 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 8496932 | 10.1021/jm00063a016 | Sterol O-acyltransferase 1 | 1 |
| 8410971 | 10.1021/jm00070a002 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine