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Compound Detail

CHEMBL5796666

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Cc1ccccc1C1CC2(CCN(C(=O)[C@H]3C[C@]4(COC(=O)N4)C3)CC2)C1

Basic Information

ChEMBL ID CHEMBL5796666
Phase Preclinical
Structure Type MOL
InChI Key RZNPOSRUJLJHMH-LMTLIKQPSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.37
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
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 -0.18

Activity Summary

IC50 2 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
IC50 8.8 8.36 1.6 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine