Compound Detail
CHEMBL421887
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CC(=O)OC[C@@]1(C)C2C[C@H](OCC(C)C)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)C3[C@@]2(C)CC[C@@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL421887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVWAYJGTOXIBSF-XMCGVFKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
597.7
MW (Da)
4.86
ALogP
10
HBA
1
HBD
134.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 130.0 | nM | 6.89 | Inhibitory activity against acyl-CoA:cholesterol O-acyltransferase (ACAT) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00451-X | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine