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Compound Detail

CHEMBL106314

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Cc1c(C(C)C)c(=O)on1C(=O)N(C)Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL106314
Phase Preclinical
Structure Type MOL
InChI Key RCLSTPIEXORMJO-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
2.97
ALogP
4
HBA
0
HBD
55.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N2O3
MW 288.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.59

Activity Summary

IC50 3 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hormone-sensitive lipase
CHEMBL3590
IC50 8.3 7.735 5.0 2
Hormone-sensitive lipase
CHEMBL5582
IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15149665 10.1016/j.bmcl.2004.04.015 Hormone-sensitive lipase 2
18808096 10.1021/jm800718k Hormone-sensitive lipase 1

Data from ChEMBL 36 via Core Engine