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Compound Detail

CHEMBL320525

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Cc1c(C(C)C)c(=O)on1C(=O)N1CCCC1

Basic Information

ChEMBL ID CHEMBL320525
Phase Preclinical
Structure Type MOL
InChI Key YLKRKGOLKIZTSA-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
1.94
ALogP
4
HBA
0
HBD
55.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N2O3
MW 238.29
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.26

Activity Summary

IC50 3 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hormone-sensitive lipase
CHEMBL3590
IC50 7.82 7.685 15.0 2
Hormone-sensitive lipase
CHEMBL5582
IC50 7.82 7.82 15.0 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