α-methyl-5-HT   

GtoPdb Ligand ID: 152

Synonyms: α-methylserotonin | α-Me-5-HT
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 62.04
Molecular weight 190.11
XLogP 1.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(Cc1c[nH]c2c1cc(O)cc2)N
Isomeric SMILES CC(Cc1c[nH]c2c1cc(O)cc2)N
InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3
InChI Key LYPCGXKCQDYTFV-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2B receptor Hs Agonist Full agonist 7.9 – 8.3 pKi - 4,9-10
pKi 7.9 – 8.3 [4,9-10]
5-HT2B receptor Rn Agonist Full agonist 8.0 pKi - 13
pKi 8.0 [13]
5-HT2A receptor Hs Agonist Full agonist 7.8 pKi - 9
pKi 7.8 [9]
5-HT2C receptor Hs Agonist Full agonist 6.9 – 8.6 pKi - 7,9
pKi 6.9 – 8.6 [7,9]
5-ht1e receptor Hs Agonist Full agonist 6.9 – 7.0 pKi - 2-3
pKi 6.9 – 7.0 [2-3]
5-HT1F receptor Hs Agonist Full agonist 6.7 pKi - 2
pKi 6.7 [2]
5-HT1D receptor Hs Agonist Full agonist 6.1 – 6.6 pKi - 11
pKi 6.1 – 6.6 [11]
5-HT4 receptor Rn Agonist Full agonist 5.6 – 6.6 pKi - 1,6
pKi 5.6 – 6.6 [1,6]
5-HT2A receptor Rn Agonist Full agonist 5.9 pKi - 12
pKi 5.9 [12]
5-HT4 receptor Hs Agonist Full agonist 5.8 pKi - 4,8
pKi 5.8 [4,8]
5-HT6 receptor Rn Agonist Full agonist 5.5 pKi - 5
pKi 5.5 [5]