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Compound Detail

CHEMBL3103241

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CS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCC3

Basic Information

ChEMBL ID CHEMBL3103241
Phase Preclinical
Structure Type MOL
InChI Key QHZWINGUKPSSJA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.79
ALogP
5
HBA
0
HBD
73.6
PSA (Ų)
0.63
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 C16H18O5S
MW 322.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.28

Activity Summary

IC50 1 meas. best 4.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 4.61 4.61 24500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 24500.0 nM 4.61 Cytotoxicity against mouse RAW264.7 cells after 24 hrs by MTT assay 24360561

Literature References

PubMed DOI Target Context # Activities
24360561 10.1016/j.bmcl.2013.12.018 RAW264.7 3

Data from ChEMBL 36 via Core Engine