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Compound Detail

CHEMBL49895

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CC(C)(C)C1CCC(C(=O)Nc2ccc(OC(=O)NN3CCOCC3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL49895
Phase Preclinical
Structure Type MOL
InChI Key XSLDWDIQZLTRHG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.81
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.80
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 C22H33N3O4
MW 403.52
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hormone-sensitive lipase
CHEMBL3590
 IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hormone-sensitive lipase IC50 = 1.0 nM 9.0 Inhibition of human recombinant hormone sensitive lipase. 15026062

Literature References

PubMed DOI Target Context # Activities
15026062 10.1016/j.bmcl.2004.01.038 Hormone-sensitive lipase 2

Data from ChEMBL 36 via Core Engine