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Compound Detail

CHEMBL106375

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COCCc1c(C)n(C(=O)N2CCC(c3cccc(F)c3)CC2)oc1=O

Basic Information

ChEMBL ID CHEMBL106375
Phase Preclinical
Structure Type MOL
InChI Key QSQAUXAPFAEVSV-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.93
ALogP
5
HBA
0
HBD
64.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23FN2O4
MW 362.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.83

Activity Summary

IC50 3 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hormone-sensitive lipase
CHEMBL3590
IC50 9.7 8.7 0.2 2
Hormone-sensitive lipase
CHEMBL5582
IC50 7.7 7.7 20.0 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