compound 5 [PMID: 29579323]   

GtoPdb Ligand ID: 10038

Synonyms: CBA
Compound class: Synthetic organic
Comment: Compound 5 is reported as a selective inhibitor of the calcium-activated non-selective cation channel TRPM4 [1]. It will facilitate experiments to better understand the role of TRPM4 function in human diseases, and help provide clues for clinical lead development.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 75.63
Molecular weight 339.01
XLogP 3.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(Nc1cc(Cl)ccc1C(=O)O)COc1ccccc1Cl
Isomeric SMILES O=C(Nc1cc(Cl)ccc1C(=O)O)COc1ccccc1Cl
InChI InChI=1S/C15H11Cl2NO4/c16-9-5-6-10(15(20)21)12(7-9)18-14(19)8-22-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,18,19)(H,20,21)
InChI Key CVQCJPCMPGKEDH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid
Synonyms
CBA
Comments
Compound 5 is reported as a selective inhibitor of the calcium-activated non-selective cation channel TRPM4 [1]. It will facilitate experiments to better understand the role of TRPM4 function in human diseases, and help provide clues for clinical lead development.
Database Links
GtoPdb PubChem SID 375973226
PubChem CID 2264067
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Search UniChem for chemical match using the InChIKey CVQCJPCMPGKEDH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CVQCJPCMPGKEDH

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Tocris
CBA
Cat. No. 6724