Compound Detail
CHEMBL143959
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Basic Information
| ChEMBL ID | CHEMBL143959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGFJNVDXDSGOQQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
4.65
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL1163116 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 4.82 | 4.82 | 15000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of recombinant human CETP-mediated transfer of [3H]CE from HDL to LDL | 11101348 |
| Cholesteryl ester transfer protein | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of CETP | 17604633 |
| Cholesteryl ester transfer protein | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters ... | 20116902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11101348 | 10.1021/jm000337b | Cholesteryl ester transfer protein | 2 |
| 17604633 | 10.1016/j.bmc.2007.06.021 | Cholesteryl ester transfer protein | 1 |
| 20116902 | 10.1016/j.ejmech.2009.12.070 | Cholesteryl ester transfer protein | 1 |
Data from ChEMBL 36 via Core Engine