N-α-methylhistamine   Click here for help

GtoPdb Ligand ID: 1239

Abbreviated name: NAMH
Synonyms: N-α-MeHA
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 40.71
Molecular weight 125.1
XLogP -0.36
No. Lipinski's rules broken 0
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Canonical SMILES CNCCc1cnc[nH]1
Isomeric SMILES CNCCc1cnc[nH]1
InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H3 receptor Mm Agonist Full agonist 9.0 pKi - 1
pKi 9.0 [1]
H4 receptor Hs Agonist Full agonist 6.8 – 7.2 pKi - 2-3
pKi 6.8 – 7.2 [2-3]
Ligand mentioned in the following text fields