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Compound Detail

CHEMBL126544

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OC(CN(Cc1ccccc1)c1cccc(F)c1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126544
Phase Preclinical
Structure Type MOL
InChI Key JIADVIXXPMXDSB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
3.76
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15F4NO
MW 313.29
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
11101348 10.1021/jm000337b Cholesteryl ester transfer protein 2
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