impromidine   Click here for help

GtoPdb Ligand ID: 1226

Synonyms: SK&F-92676-A3
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Arpromidine is a histamine H1 receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 133.07
Molecular weight 321.17
XLogP 0.78
No. Lipinski's rules broken 0
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Canonical SMILES NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C
Isomeric SMILES NC(=NCCCc1cnc[nH]1)NCCSCc1nc[nH]c1C
InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H4 receptor Hs Agonist Partial agonist 7.6 – 7.9 pKi - 1-2
pKi 7.6 – 7.9 [1-2]
H2 receptor Hs Agonist Full agonist 7.2 pKi - 3
pKi 7.2 [3]
H3 receptor Hs Agonist Partial agonist 7.2 pKi - 2
pKi 7.2 [2]
H1 receptor Hs Antagonist Antagonist 5.2 pKi - 3
pKi 5.2 [3]