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Compound Detail

CHEMBL4159300

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O=C(Oc1ccccc1)N1CCN(CCn2ccc3ccc(F)cc32)CC1

Basic Information

ChEMBL ID CHEMBL4159300
Phase Preclinical
Structure Type MOL
InChI Key WEHQWVHLHCBFQO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.60
ALogP
4
HBA
0
HBD
37.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22FN3O2
MW 367.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30108777 10.1039/C6MD00683C Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine