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Compound Detail

CHEMBL3222167

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COc1ccc(-c2ccc3oc(NC4CCCCC4)nc3c2)cc1C

Basic Information

ChEMBL ID CHEMBL3222167
Phase Preclinical
Structure Type MOL
InChI Key JLDFFOCTFUXWEN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
5.56
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O2
MW 336.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 6.64 6.64 228.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 228.0 nM 6.64 Inhibition of human FAAH expressed in HEK293 cells using arachadonyl 7-amino 4-m... -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD00307D Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine