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Compound Detail

CHEMBL15485

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CC(CCC(SCCC(=O)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)CC(=O)N(C)C

Basic Information

ChEMBL ID CHEMBL15485
Phase Preclinical
Structure Type MOL
InChI Key OEBOGVZKAGANGB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

529.1
MW (Da)
6.61
ALogP
5
HBA
1
HBD
79.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33ClN2O4S
MW 529.10
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 8.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor 1
CHEMBL5645
IC50 8.07 8.07 8.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80635-6 Cysteinyl leukotriene receptor 1 1

Data from ChEMBL 36 via Core Engine