arpromidine   Click here for help

GtoPdb Ligand ID: 1221

Abbreviated name: ARP
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 3
Rotatable bonds 10
Topological polar surface area 91.98
Molecular weight 380.21
XLogP 2.51
No. Lipinski's rules broken 0
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Canonical SMILES NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F
Isomeric SMILES NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F
InChI InChI=1S/C21H25FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H2 receptor Hs Agonist Full agonist 6.3 – 8.0 pKi - 2
pKi 6.3 – 8.0 [2]
H1 receptor Hs Antagonist Antagonist 6.5 pKi - 1-2
pKi 6.5 [1-2]