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Compound Detail

CHEMBL320708

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Cc1c(C2CCCC2)c(=O)on1C(=O)N1CCC(c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL320708
Phase Preclinical
Structure Type MOL
InChI Key WFZLBKRYYUBLJA-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
4.26
ALogP
4
HBA
0
HBD
55.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O3
MW 354.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.43

Activity Summary

IC50 3 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hormone-sensitive lipase
CHEMBL3590
IC50 8.1 7.86 8.0 2
Hormone-sensitive lipase
CHEMBL5582
IC50 7.62 7.62 24.0 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