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Compound Detail

CHEMBL5892929

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O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC3(CCC(C4CCCCC4)C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5892929
Phase Preclinical
Structure Type MOL
InChI Key PWPWXTRHSIWNGI-KXOVQGTASA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
3.08
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O3
MW 346.47
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 0.65

Activity Summary

IC50 2 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
 IC50 9.15 8.82 0.7 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 0.71 nM 9.15 Biological Assay: The assay used to measure the in vitro activity of MGL is adap... -
Monoglyceride lipase IC50 = 3.2 nM 8.49 Biological Assay: The assay used to measure the in vitro activity of MGL is adap... -

Data from ChEMBL 36 via Core Engine