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Compound Detail

CHEMBL4291020

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CC(C)/C(=N\O)c1cc(-c2ccc(O)c(F)c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4291020
Phase Preclinical
Structure Type MOL
InChI Key NMKXKESSEHUBLH-FBMGVBCBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
3.74
ALogP
4
HBA
3
HBD
73.0
PSA (Ų)
0.46
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 C16H16FNO3
MW 289.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.32

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
 IC50 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 3300.0 nM 5.48 Inhibition of recombinant human C-terminal His-tagged MAGL expressed in Escheric... 30144699

Literature References

PubMed DOI Target Context # Activities
30144699 10.1016/j.ejmech.2018.08.038 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine