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Compound Detail

CHEMBL108207

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CCCCc1c(C)n(C(=O)N2CCCCC2)oc1=O

Basic Information

ChEMBL ID CHEMBL108207
Phase Preclinical
Structure Type MOL
InChI Key GRDSTXUSVGZGSQ-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
2.55
ALogP
4
HBA
0
HBD
55.5
PSA (Ų)
0.84
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 C14H22N2O3
MW 266.34
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.43

Activity Summary

IC50 3 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hormone-sensitive lipase
CHEMBL3590
IC50 8.15 7.68 7.0 2
Hormone-sensitive lipase
CHEMBL5582
IC50 8.15 8.15 7.0 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