[3H]methoxymethyl-MTEP   Click here for help

GtoPdb Ligand ID: 5394

Synonyms: [3H]-methoxymethyl-MTEP
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 63.25
Molecular weight 244.07
XLogP 1.83
No. Lipinski's rules broken 0
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Canonical SMILES COCc1cncc(c1)C#Cc1csc(n1)C
Isomeric SMILES COCc1cncc(c1)C#Cc1csc(n1)C
InChI InChI=1S/C13H12N2OS/c1-10-15-13(9-17-10)4-3-11-5-12(8-16-2)7-14-6-11/h5-7,9H,8H2,1-2H3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mGlu5 receptor Rn Allosteric modulator Negative 7.7 pKd - 1
pKd 7.7 (Kd 2x10-8 M) [1]
Ligand mentioned in the following text fields