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Compound Detail

CHEMBL4284214

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COc1ccc(-c2ccc(O)c(/C(Cc3ccccc3)=N/O)c2)cc1

Basic Information

ChEMBL ID CHEMBL4284214
Phase Preclinical
Structure Type MOL
InChI Key VIPLYRIITXFQEJ-LSDHQDQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
4.49
ALogP
4
HBA
2
HBD
62.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO3
MW 333.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.25

Activity Summary

IC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 20000.0 nM 4.7 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