N-1-isopropyltryptamine   Click here for help

GtoPdb Ligand ID: 159

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 3
Topological polar surface area 30.95
Molecular weight 202.15
XLogP 2.6
No. Lipinski's rules broken 0
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Canonical SMILES NCCc1cn(c2c1cccc2)C(C)C
Isomeric SMILES NCCc1cn(c2c1cccc2)C(C)C
InChI InChI=1S/C13H18N2/c1-10(2)15-9-11(7-8-14)12-5-3-4-6-13(12)15/h3-6,9-10H,7-8,14H2,1-2H3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2A receptor Rn Agonist Full agonist 7.1 pKi - 1
pKi 7.1 [1]
5-HT2A receptor Hs Agonist Full agonist 6.6 pKi - 1
pKi 6.6 [1]