AM237   Click here for help

GtoPdb Ligand ID: 10421

Synonyms: Example 319 [WO2014143799]
Compound class: Synthetic organic
Comment: AM237 is a potent and selective TRPC5 channel activator [2]. It is an analogue of the TRPC1/4/5 channel inhibitor Pico145. Whilst AM237 activates homomeric TRPC5 channels it inhibits other TRPC1/4/5 channels, and is proposed as a useful chemical tool to help investigate TRPC1/4/5 channel composition and the biological functions of specific channels in different cells and/or tissues. It is orally bioavailable and suitable for in vivo studies. AM237 is one of the xanthine derivatives claimed in patent WO2014143799A2 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 100.51
Molecular weight 558.07
XLogP 7.23
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1ccc(c(c1)OC(F)(F)F)Cl
Isomeric SMILES OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1ccc(c(c1)OC(F)(F)F)Cl
InChI InChI=1S/C23H19Cl2F3N4O5/c1-30-19-18(20(34)31(22(30)35)9-2-10-33)32(12-13-3-5-14(24)6-4-13)21(29-19)36-15-7-8-16(25)17(11-15)37-23(26,27)28/h3-8,11,33H,2,9-10,12H2,1H3
InChI Key UNQYAAAWKOOBFQ-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel