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Compound Detail

CHEMBL127130

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OC(CN(Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1cccc(F)c1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127130
Phase Preclinical
Structure Type MOL
InChI Key ITGPNZOEGLNTQZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

473.4
MW (Da)
6.57
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18F7NO2
MW 473.39
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholesteryl ester transfer protein
CHEMBL1163116
 IC50 8.92 8.92 1.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cholesteryl ester transfer protein IC50 = 1.2 nM 8.92 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 1
20116902 10.1016/j.ejmech.2009.12.070 Cholesteryl ester transfer protein 1

Data from ChEMBL 36 via Core Engine