Compound Detail
CHEMBL79602
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CN(C)c1ccc(CN(Cc2cccc(-c3cc[nH]n3)c2)C(=O)Nc2c(F)cc(F)cc2F)cc1
Basic Information
| ChEMBL ID | CHEMBL79602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKPWIOMOALIGCF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
5.79
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 12.0 | nM | 7.92 | In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase... | 9632372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9632372 | 10.1021/jm9800853 | Acyl-CoA:cholesterol acyltransferase | 1 |
| 9632372 | 10.1021/jm9800853 | Sterol O-acyltransferase, Soat | 1 |
| 9632372 | 10.1021/jm9800853 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine