5-HEAT   Click here for help

GtoPdb Ligand ID: 1345

Synonyms: 5-hydroxyethoxy-N-acetyltryptamine
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 3
Rotatable bonds 7
Topological polar surface area 74.35
Molecular weight 262.13
XLogP 0.89
No. Lipinski's rules broken 0
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Canonical SMILES OCCOc1ccc2c(c1)c(CCNC(=O)C)c[nH]2
Isomeric SMILES OCCOc1ccc2c(c1)c(CCNC(=O)C)c[nH]2
InChI InChI=1S/C14H18N2O3/c1-10(18)15-5-4-11-9-16-14-3-2-12(8-13(11)14)19-7-6-17/h2-3,8-9,16-17H,4-7H2,1H3,(H,15,18)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
MT1 receptor Hs Agonist Full agonist 7.8 pKi - 1
pKi 7.8 [1]
MT2 receptor Hs Antagonist Antagonist 7.1 pKi - 1
pKi 7.1 [1]