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Compound Detail

CHEMBL324436

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Cc1c(C(C)C)c(=O)on1C(=O)N1CCSCC1

Basic Information

ChEMBL ID CHEMBL324436
Phase Preclinical
Structure Type MOL
InChI Key NYZIQADSGMWFHP-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
1.89
ALogP
5
HBA
0
HBD
55.5
PSA (Ų)
0.78
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 C12H18N2O3S
MW 270.35
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.66

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 7.32 8.0 2
Hormone-sensitive lipase
CHEMBL5582
IC50 8.1 8.1 8.0 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