Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL127530

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOC(=O)CCCOc1cccc(/C=C/c2ccc3ccccc3n2)c1

Basic Information

ChEMBL ID CHEMBL127530
Phase Preclinical
Structure Type MOL
InChI Key LGFNWYHWAVUQBZ-WYMLVPIESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
5.13
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23NO3
MW 361.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
IC50 6.24 6.24 580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor IC50 = 580.0 nM 6.24 In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes. 1331447

Literature References

PubMed DOI Target Context # Activities
1331447 10.1021/jm00099a011 Cysteinyl leukotriene receptor 1
1331447 10.1021/jm00099a011 Cavia porcellus 1
1331447 10.1021/jm00099a011 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine