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Compound Detail

CHEMBL3222176

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Cn1ncc2c(-c3ccc4oc(NC5CCCCC5)nc4c3)cccc21

Basic Information

ChEMBL ID CHEMBL3222176
Phase Preclinical
Structure Type MOL
InChI Key WSWJJFXKNTYIPJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
5.13
ALogP
5
HBA
1
HBD
55.9
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O
MW 346.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 7.28 7.28 52.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 52.0 nM 7.28 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