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Compound Detail

CHEMBL5955363

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O=C1N[C@]2(CO1)C[C@H](C(=O)N1CC3(CCC(C4CCCC4)C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5955363
Phase Preclinical
Structure Type MOL
InChI Key VLISDSDONVCGCJ-BOIFOBKCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.69
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28N2O3
MW 332.44
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 0.69

Activity Summary

IC50 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoglyceride lipase
CHEMBL4191
 IC50 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Monoglyceride lipase IC50 = 1.1 nM 8.96 Biological Assay: The assay used to measure the in vitro activity of MGL is adap... -

Data from ChEMBL 36 via Core Engine