methimepip   Click here for help

GtoPdb Ligand ID: 1254

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 1
Rotatable bonds 2
Topological polar surface area 31.92
Molecular weight 179.14
XLogP 0.62
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCC(CC1)Cc1[nH]cnc1
Isomeric SMILES CN1CCC(CC1)Cc1[nH]cnc1
InChI InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H3 receptor Hs Agonist Full agonist 9.0 pKi - 1
pKi 9.0 (Ki 1x10-9 M) [1]
H4 receptor Hs Agonist Full agonist 5.7 pKi - 1
pKi 5.7 [1]