compound 5 [PMID: 29579323]   Click here for help

GtoPdb Ligand ID: 10038

Synonyms: CBA
Compound class: Synthetic organic
Comment: Compound 5 (CBA) 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.
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2D Structure
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Physico-chemical Properties
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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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]benzoic acid
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Database Links Click here for help
GtoPdb PubChem SID 375973226
PubChem CID 2264067
Search Google for chemical match using the InChIKey CVQCJPCMPGKEDH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CVQCJPCMPGKEDH
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UniChem Connectivity Search for chemical match using the InChIKey CVQCJPCMPGKEDH-UHFFFAOYSA-N

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CBA (links to external site)
Cat. No. 6724