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Compound Detail

CHEMBL242320

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CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(S(=O)(=O)NC)ccc32)cc1

Basic Information

ChEMBL ID CHEMBL242320
Phase Preclinical
Structure Type MOL
InChI Key JGYGRQZKMVAFAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
5.10
ALogP
5
HBA
1
HBD
77.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34N2O4S
MW 470.64
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytosolic phospholipase A2
CHEMBL3816
IC50 6.51 6.51 310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17320401 10.1016/j.bmc.2007.02.016 Cytosolic phospholipase A2 1

Data from ChEMBL 36 via Core Engine