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

CHEMBL4553078

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
COc1ccc(F)c(C(=O)N2CCC(C(=O)c3ccc(C(C)C)cc3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4553078
Phase Preclinical
Structure Type MOL
InChI Key KFUHPWSNJUSCIT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
4.69
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26FNO3
MW 383.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
 IC50 5.58 5.58 2600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 2600.0 nM 5.58 Inhibition of human recombinant MAGL using 4-NPA as substrate after 30 mins 30715876

Literature References

PubMed DOI Target Context # Activities
30715876 10.1021/acs.jmedchem.8b01483 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine