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Compound Detail

CHEMBL287354

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O=C(O)CCSC(SCCC(=O)O)c1ccccc1CCCCCCCCCCCC(F)(F)F

Basic Information

ChEMBL ID CHEMBL287354
Phase Preclinical
Structure Type MOL
InChI Key GEZVDUJVSIHSRL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

522.7
MW (Da)
8.11
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H37F3O4S2
MW 522.70
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.09

Activity Summary

Ki 1 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
Ki 6.83 6.83 147.0 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