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Compound Detail

CHEMBL33932

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CCCCc1ccc(CCCCc2ccccc2C(SCCC(=O)O)SCCC(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL33932
Phase Preclinical
Structure Type MOL
InChI Key PIIPEHUZGANZAY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.7
MW (Da)
7.01
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.18
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36O4S2
MW 488.72
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.02

Activity Summary

Ki 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
Ki 5.37 5.37 4228.0 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