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Compound Detail

CHEMBL590485

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CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL590485
Phase Preclinical
Structure Type MOL
InChI Key BEIZIEZPGSIQGR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.05
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.94
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 C11H10FNO3S2
MW 287.34
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 130.0 nM 6.89 Inhibition of potato tuber 5LOX by polarographic method 20045317

Literature References

PubMed DOI Target Context # Activities
20045317 10.1016/j.bmcl.2009.12.047 Unchecked 1

Data from ChEMBL 36 via Core Engine