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

CHEMBL1232635

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
O=C(N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)n1cncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1232635
Phase Preclinical
Structure Type MOL
InChI Key UIOVHJYJUUSVIG-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
2.93
ALogP
5
HBA
0
HBD
54.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F2N5O
MW 383.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.41

Activity Summary

IC50 8 meas. best 9.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL5774
 IC50 9.66 9.66 0.2 2
Monoglyceride lipase
CHEMBL4191
 IC50 9.07 9.06 0.9 2
Monoglyceride lipase
CHEMBL3321
 IC50 8.96 8.96 1.1 2
Fatty-acid amide hydrolase 1
CHEMBL2243
 IC50 6.55 6.55 281.8 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 0.219 nM 9.66 Inhibition of mouse MAGL 27766867
Monoglyceride lipase IC50 = 0.219 nM 9.66 Inhibition of mouse MAGL 32429662
Monoglyceride lipase IC50 = 0.8511 nM 9.07 Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as sub... 25282655
Monoglyceride lipase IC50 = 0.9 nM 9.05 Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as sub... 25282655
Monoglyceride lipase IC50 = 1.1 nM 8.96 Inhibition of rat MAGL 27766867
Monoglyceride lipase IC50 = 1.1 nM 8.96 Inhibition of rat MAGL 32429662
Fatty-acid amide hydrolase 1 IC50 = 281.84 nM 6.55 Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as... 25282655
Fatty-acid amide hydrolase 1 IC50 = 282.0 nM 6.55 Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as... 25282655

Literature References

PubMed DOI Target Context # Activities
25282655 10.1016/j.bmc.2014.09.012 Monoglyceride lipase 2
25282655 10.1016/j.bmc.2014.09.012 Fatty-acid amide hydrolase 1 2
27766867 10.1021/acs.jmedchem.6b00538 Monoglyceride lipase 2
32429662 10.1021/acs.jmedchem.9b02137 Monoglyceride lipase 2

Data from ChEMBL 36 via Core Engine