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Compound Detail

CHEMBL4784401

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O=C(c1ccc(-c2cn(-c3ccccc3)nn2)cc1)C1CCN(C(=O)c2cccc(O)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4784401
Phase Preclinical
Structure Type MOL
InChI Key HQAWVROPXXJXAB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
4.38
ALogP
6
HBA
1
HBD
88.3
PSA (Ų)
0.45
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 C27H24N4O3
MW 452.51
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 1000.0 nM 6.0 Inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate inc... 33045662

Literature References

PubMed DOI Target Context # Activities
33045662 10.1016/j.ejmech.2020.112857 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine