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

CHEMBL123577

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
O=C([O-])CCCOc1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123577
Phase Preclinical
Structure Type MOL
InChI Key LDMANXBMSOXRKQ-AAGWESIMSA-M
Parent Compound CHEMBL1205628
Active Moiety CHEMBL1205628
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

367.8
MW (Da)
5.30
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClNNaO3
MW 389.81
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cysteinyl leukotriene receptor
CHEMBL2094254
 IC50 7.41 7.41 39.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cysteinyl leukotriene receptor IC50 = 39.0 nM 7.41 In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes. 1331447

Literature References

PubMed DOI Target Context # Activities
1331447 10.1021/jm00099a011 Rattus norvegicus 2
1331447 10.1021/jm00099a011 Cysteinyl leukotriene receptor 1
1331447 10.1021/jm00099a011 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine