Compound Detail
CHEMBL125473
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Basic Information
| ChEMBL ID | CHEMBL125473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJKBFQQTQSEBNP-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.3
MW (Da)
4.77
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 4.43 | 4.4075 | 37000.0 | 4 |
| Cholesteryl ester transfer protein CHEMBL1163116 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 37000.0 | nM | 4.43 | Concentration required for 50% inhibition of cholesteryl ester transfer protein ... | 12190312 |
| Cholesteryl ester transfer protein | IC50 | = | 40000.0 | nM | 4.4 | Concentration required for 50% inhibition of cholesteryl ester transfer protein ... | 12190312 |
| Cholesteryl ester transfer protein | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of recombinant human CETP-mediated transfer of [3H]CE from HDL to LDL | 11101348 |
| Cholesteryl ester transfer protein | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of CETP | 17604633 |
| Cholesteryl ester transfer protein | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters ... | 20116902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12190312 | 10.1021/jm020038h | Cholesteryl ester transfer protein | 3 |
| 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