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Compound Detail

CHEMBL606391

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CC(=O)Nc1ccc(OC(=O)CCc2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL606391
Phase Preclinical
Structure Type MOL
InChI Key OXAZUWVIFMMTCE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
5.34
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.38
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 C23H20F3N3O3
MW 443.43
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 5.82 5.82 1500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20143779 10.1021/jm901891p Fatty-acid amide hydrolase 1 3

Data from ChEMBL 36 via Core Engine