tryptamine   Click here for help

GtoPdb Ligand ID: 125

PDB Ligand
Compound class: Metabolite
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 41.81
Molecular weight 160.1
XLogP 1.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCCc1c[nH]c2c1cccc2
Isomeric SMILES NCCc1c[nH]c2c1cccc2
InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChI Key APJYDQYYACXCRM-UHFFFAOYSA-N
Natural/Endogenous Targets
Target
5-HT1B receptor
5-ht1e receptor
5-HT2A receptor
Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
L-Aromatic amino-acid decarboxylase
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT7 receptor Rn Agonist Full agonist 7.5 – 7.8 pKi - 13
pKi 7.5 – 7.8 [13]
5-HT1D receptor Hs Agonist Full agonist 6.8 – 7.4 pKi - 11,15
pKi 6.8 – 7.4 [11,15]
5-HT2A receptor Ligand is endogenous in the given species Rn Agonist Full agonist 7.1 pKi - 9
pKi 7.1 [9]
5-HT2B receptor Hs Agonist Full agonist 7.0 pKi - 10
pKi 7.0 [10]
5-HT2B receptor Rn Agonist Full agonist 7.0 pKi - 14
pKi 7.0 [14]
5-HT7 receptor Hs Agonist Full agonist 6.8 pKi - 3
pKi 6.8 [3]
5-HT2A receptor Ligand is endogenous in the given species Hs Agonist Full agonist 5.5 – 7.6 pKi - 6,9-10
pKi 5.5 – 7.6 [6,9-10]
5-HT2C receptor Hs Agonist Full agonist 5.6 – 7.2 pKi - 8,10
pKi 5.6 – 7.2 [8,10]
5-HT1B receptor Ligand is endogenous in the given species Hs Agonist Full agonist 6.3 pKi - 15
pKi 6.3 [15]
5-HT6 receptor Rn Agonist Full agonist 5.8 – 6.8 pKi - 4,12
pKi 5.8 – 6.8 [4,12]
5-ht1e receptor Ligand is endogenous in the given species Hs Agonist Full agonist 5.6 – 6.5 pKi - 1-2,7
pKi 5.6 – 6.5 [1-2,7]
5-HT1F receptor Hs Agonist Full agonist 5.6 pKi - 1
pKi 5.6 [1]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference