5-MeO-DMT   Click here for help

GtoPdb Ligand ID: 145

Synonyms: 5-methoxydimethyltryptamine | MeODMT
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 28.26
Molecular weight 218.14
XLogP 1.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)c(CCN(C)C)c[nH]2
Isomeric SMILES COc1ccc2c(c1)c(CCN(C)C)c[nH]2
InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChI Key ZSTKHSQDNIGFLM-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT7 receptor Rn Agonist Full agonist 7.4 – 7.7 pKi - 5
pKi 7.4 – 7.7 [5]
5-HT1F receptor Hs Agonist Full agonist 7.4 pKi - 1
pKi 7.4 [1]
5-HT6 receptor Rn Agonist Full agonist 6.9 pKi - 2
pKi 6.9 [2]
5-HT2C receptor Hs Agonist Full agonist 6.2 – 7.0 pKi - 4
pKi 6.2 – 7.0 [4]
5-ht1e receptor Hs Agonist Full agonist 6.1 – 6.3 pKi - 1,3
pKi 6.1 – 6.3 [1,3]