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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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)
1. Seifert R, Wenzel-Seifert K, Burckstummer T, Pertz HH, Schunack W, Dove S, Buschauer A, Elz S. (2003)
Multiple differences in agonist and antagonist pharmacology between human and guinea pig histamine H1-receptor.
J Pharmacol Exp Ther, 305 (3): 1104-15. [PMID:12626648]
2. Xie SX, Ghorai P, Ye QZ, Buschauer A, Seifert R. (2006)
Probing ligand-specific histamine H1- and H2-receptor conformations with NG-acylated Imidazolylpropylguanidines.
J Pharmacol Exp Ther, 317 (1): 139-46. [PMID:16394198]