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Compound Detail

CHEMBL15367

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CCCCCCCCCCCCc1ccccc1C(SCCC(=O)O)SCCC(=O)O

Basic Information

ChEMBL ID CHEMBL15367
Phase Preclinical
Structure Type MOL
InChI Key PEDBVGXUGSZQBG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

468.7
MW (Da)
7.56
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.15
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 C25H40O4S2
MW 468.73
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.11

Activity Summary

Ki 2 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
Ki 6.35 6.35 445.0 1
Cysteinyl leukotriene receptor 1
CHEMBL5645
Ki 6.35 6.35 445.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2547071 10.1021/jm00128a028 Cysteinyl leukotriene receptor 1 3
3016267 10.1021/jm00158a021 Cysteinyl leukotriene receptor 2
2993610 10.1021/jm00147a004 Cysteinyl leukotriene receptor 1 2
2993610 10.1021/jm00147a004 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine