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Compound Detail

CHEMBL271792

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O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(C(F)(F)F)o1

Basic Information

ChEMBL ID CHEMBL271792
Phase Preclinical
Structure Type MOL
InChI Key OJLANTBOTIWRTA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.3
MW (Da)
5.30
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14F3NO3
MW 361.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.60

Activity Summary

Ki 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 9.0 9.0 1.0 1
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18247553 10.1021/jm701210y Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine