cipralisant   Click here for help

GtoPdb Ligand ID: 1244

Synonyms: GT-2331
Compound class: Synthetic organic
Comment: This compound exhibits functional selectivity for the histamine H3 receptor, displaying both agonist and antagonist actions, depending on the G protein content of the cells examined [1].
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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 28.68
Molecular weight 216.16
XLogP 3.66
No. Lipinski's rules broken 0
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Canonical SMILES CC(CCC#CC1CC1c1[nH]cnc1)(C)C
Isomeric SMILES CC(CCC#C[C@@H]1C[C@H]1c1[nH]cnc1)(C)C
InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H3 receptor Rn Agonist Full agonist 9.5 pKi - 2
pKi 9.5 [2]
H3 receptor Hs Agonist Full agonist 8.6 pKi - 2
pKi 8.6 [2]