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Compound Detail

CHEMBL33764

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CCCCCCCCCCCCc1ccccc1C(SCCC(=O)O)[S+]([O-])CCC(=O)O

Basic Information

ChEMBL ID CHEMBL33764
Phase Preclinical
Structure Type MOL
InChI Key FYTRQOCBJGGXJC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.7
MW (Da)
6.58
ALogP
4
HBA
2
HBD
97.7
PSA (Ų)
0.16
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H40O5S2
MW 484.72
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.18

Activity Summary

Ki 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
Ki 6.37 6.37 423.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3016267 10.1021/jm00158a021 Cysteinyl leukotriene receptor 2

Data from ChEMBL 36 via Core Engine