Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL227274

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(CCCCC#Cc1cccc(C(F)(F)F)c1)c1ncc(-c2ccccn2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL227274
Phase Preclinical
Structure Type MOL
InChI Key MFPUQGNZBWZQII-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
5.55
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.31
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 C22H17F3N2O2
MW 398.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.90

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
 Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 10.0 nM 8.0 Inhibition of rat recombinant FAAH expressed in Escherichia coli 17559203

Literature References

PubMed DOI Target Context # Activities
17559203 10.1021/jm061414r Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine