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Compound Detail

CHEMBL5748180

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CC(C)c1cccc(C2CC3(C2)CN(C(=O)[C@H]2C[C@]4(COC(=O)N4)C2)C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5748180
Phase Preclinical
Structure Type MOL
InChI Key SNNOTGAZCDFLCP-CXGRPWHSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.40
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 0.09

Activity Summary

IC50 1 meas. best 9.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
 IC50 9.55 9.55 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 0.28 nM 9.55 Biological Assay: The assay used to measure the in vitro activity of MGL is adap... -

Data from ChEMBL 36 via Core Engine