Compound Detail
CHEMBL340310
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL340310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNYMOOHZPFZFJE-NRFANRHFSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.4
MW (Da)
6.65
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.31
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholesteryl ester transfer protein CHEMBL1163116 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Cholesteryl ester transfer protein CHEMBL3572 | IC50 | 6.1 | 5.4 | 800.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholesteryl ester transfer protein | IC50 | = | 800.0 | nM | 6.1 | Concentration required for 50% inhibition of cholesteryl ester transfer protein ... | 12190312 |
| Cholesteryl ester transfer protein | IC50 | = | 800.0 | nM | 6.1 | Inhibition of recombinant human CETP-mediated transfer of [3H]CE from HDL to LDL | 11101348 |
| Cholesteryl ester transfer protein | IC50 | = | 800.0 | nM | 6.1 | Inhibition of CETP in rabbit serum after 1 hr by fluorescent cholesteryl esters ... | 20116902 |
| Cholesteryl ester transfer protein | IC50 | = | 20000.0 | nM | 4.7 | Concentration required for 50% Inhibition against Cholesteryl ester transfer pro... | 12190312 |
| Cholesteryl ester transfer protein | IC50 | = | 20000.0 | nM | 4.7 | Tested for inhibiting CETP-mediated transfer of [3H]-CE from HDL to LDL in vitro... | 11101348 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12190312 | 10.1021/jm020038h | Cholesteryl ester transfer protein | 2 |
| 11101348 | 10.1021/jm000337b | Cholesteryl ester transfer protein | 2 |
| 20116902 | 10.1016/j.ejmech.2009.12.070 | Cholesteryl ester transfer protein | 1 |
Data from ChEMBL 36 via Core Engine