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Compound Detail

CHEMBL3234720

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CC(NC(=O)COc1ccccc1)C(O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL3234720
Phase Preclinical
Structure Type MOL
InChI Key OCOTYKFFLMUXIB-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.2
MW (Da)
1.49
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.86
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 C12H14F3NO3
MW 277.24
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.93

Activity Summary

Ki 4 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 5.82 5.82 1500.0 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24583353 10.1016/j.ejmech.2014.02.008 Unchecked 4

Data from ChEMBL 36 via Core Engine