Compound Detail
CHEMBL298199
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CCCCCCCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)n1C)C(=O)Nc1ccc(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL298199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBOMVLKBIPTCLP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
604.8
MW (Da)
9.80
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 5.45 | 5.445 | 3560.0 | 2 |
| Sterol O-acyltransferase 1 CHEMBL4464 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 3560.0 | nM | 5.45 | In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat... | - |
| Sterol O-acyltransferase 1 | IC50 | = | 3600.0 | nM | 5.44 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepati... | 7932580 |
| Sterol O-acyltransferase 1 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macroph... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00001-A | Sterol O-acyltransferase 1 | 2 |
| 7932580 | 10.1021/jm00047a009 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine