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Compound Detail

CHEMBL272452

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O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(F)(F)F)o1

Basic Information

ChEMBL ID CHEMBL272452
Phase Preclinical
Structure Type MOL
InChI Key BXXGIXJALZAJTA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
5.18
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14F3NO2
MW 345.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.55

Activity Summary

Ki 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 0.7 nM 9.15 Inhibition of rat recombinant FAAH expressed in Escherichia coli 18247553

Literature References

PubMed DOI Target Context # Activities
18247553 10.1021/jm701210y Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine