Compound Detail
CHEMBL331185
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CCCCCCCN(Cc1ccccc1CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL331185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAPVBYNBZLMKNH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
624.8
MW (Da)
10.32
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 3600.0 | nM | 5.44 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepati... | 7932580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932580 | 10.1021/jm00047a009 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine