Compound Detail
CHEMBL416623
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Basic Information
| ChEMBL ID | CHEMBL416623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRWJIDJGKLAPHP-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
5.81
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL1163116 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 5.8 | 5.356 | 1600.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 1600.0 | nM | 5.8 | Concentration required for 50% inhibition of cholesteryl ester transfer protein ... | 12190312 |
| Cholesteryl ester transfer protein | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of CETP | 17604633 |
| Cholesteryl ester transfer protein | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters ... | 20116902 |
| Cholesteryl ester transfer protein | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of recombinant human CETP in buffer assessed as transfer of [3H]-chol... | 26200936 |
| Cholesteryl ester transfer protein | IC50 | = | 6000.0 | nM | 5.22 | In vitro human CETP inhibitory activity assessed by measuring the rate of [3H]ch... | 11425523 |
| Cholesteryl ester transfer protein | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of cholesteryl ester transfer protein in presence of human serum | 12190312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12190312 | 10.1021/jm020038h | Cholesteryl ester transfer protein | 2 |
| 11425523 | 10.1016/s0960-894x(01)00244-x | Cholesteryl ester transfer protein | 1 |
| 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 |
| 26200936 | 10.1021/acs.jmedchem.5b00258 | Cholesteryl ester transfer protein | 1 |
Data from ChEMBL 36 via Core Engine