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Compound Detail

CHEMBL5268216

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CC(C)c1ccc(C23CCN(C(=O)[C@H]4C[C@]5(COC(=O)N5)C4)CC2C3)cc1

Basic Information

ChEMBL ID CHEMBL5268216
Phase Preclinical
Structure Type MOL
InChI Key OUYDLIURZBBDPT-IJLIMOAPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.19
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O3
MW 368.48
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.03

Activity Summary

IC50 1 meas. best 9.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
IC50 9.68 9.68 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 0.21 nM 9.68 Inhibition of MGL activity in human HeLa cells assessed as reduction in cleaved ... 37197472

Literature References

PubMed DOI Target Context # Activities
37197472 10.1021/acsmedchemlett.3c00121 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine