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Compound Detail

CHEMBL278561

LY-163443
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CCCc1c(COc2ccc(Cc3nnn[nH]3)cc2)ccc(C(C)=O)c1O

Basic Information

ChEMBL ID CHEMBL278561
Name LY-163443
Phase Preclinical
Structure Type MOL
InChI Key OKLGLROKXFUYEI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.23
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O3
MW 366.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor IC50 = 10.0 nM 8.0 Inhibition of LTD4-induced contraction in guinea pig ileum 3033245

Literature References

PubMed DOI Target Context # Activities
1849993 10.1021/jm00108a001 Cavia porcellus 1
3033245 10.1021/jm00388a028 Cysteinyl leukotriene receptor 1

Data from ChEMBL 36 via Core Engine