Compound Detail
CHEMBL53728
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CCCCCCCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1nc2ccccc2o1
Basic Information
| ChEMBL ID | CHEMBL53728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXKIQCQCLAGPMT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
552.8
MW (Da)
9.62
ALogP
5
HBA
1
HBD
58.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL4464 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cel... | - |
| Sterol O-acyltransferase 1 | IC50 | = | 300.0 | nM | 6.52 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00003-C | Sterol O-acyltransferase 1 | 2 |
| - | 10.1016/0960-894X(95)00003-C | Cricetinae gen. sp. | 1 |
Data from ChEMBL 36 via Core Engine