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Compound Detail

CHEMBL4745872

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CC(C)(C)Cc1ccc(C2CN(C(=O)N3CC[C@@H]4OCC(=O)N[C@@H]4C3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4745872
Phase Preclinical
Structure Type MOL
InChI Key ZFDNXJLGRMTSAH-MOPGFXCFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
2.38
ALogP
3
HBA
1
HBD
61.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N3O3
MW 385.51
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.04

Activity Summary

IC50 1 meas. best 10.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
 IC50 10.15 10.15 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 0.07 nM 10.15 Inhibition of MAGL (unknown origin) using 2-AG as substrate incubated for 15 min... 33738048

Literature References

PubMed DOI Target Context # Activities
33738048 10.1021/acsmedchemlett.1c00055 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine