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Compound Detail

CHEMBL3423124

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CCOC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)nn1CC

Basic Information

ChEMBL ID CHEMBL3423124
Phase Preclinical
Structure Type MOL
InChI Key FJHGLNWJVBEZNE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
4.17
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N3O4
MW 385.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 6.22 6.22 603.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26002335 10.1016/j.ejmech.2015.04.064 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine