Compound Detail
CHEMBL11238
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COCCOCCN(CCCCCSc1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)[nH]1)C(=O)NC(C)C
Basic Information
| ChEMBL ID | CHEMBL11238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNMLTSSSULRBOA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
610.9
MW (Da)
6.22
ALogP
7
HBA
2
HBD
86.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.12 | 5.12 | 7510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7510.0 | nM | 5.12 | Acyl coenzyme A:cholesterol acyltransferase inhibition in cell culture measured ... | 7707310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7707310 | 10.1021/jm00007a004 | Sterol O-acyltransferase 1 | 1 |
| 7707310 | 10.1021/jm00007a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine