Compound Detail
CHEMBL46418
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Basic Information
| ChEMBL ID | CHEMBL46418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNWNIQDTLBPBOF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.6
MW (Da)
5.70
ALogP
4
HBA
2
HBD
68.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.0 | 6.53 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 100.0 | nM | 7.0 | Inhibition against acyl coenzyme A:cholesterol acyltransferase derived from rabb... | 8496931 |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 880.0 | nM | 6.06 | Inhibition against acyl coenzyme A:cholesterol acyltransferase derived from rabb... | 8496931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496931 | 10.1021/jm00063a014 | Acyl-CoA:cholesterol acyltransferase | 2 |
| 8496931 | 10.1021/jm00063a014 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine