iodophenpropit   Click here for help

GtoPdb Ligand ID: 1266

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 92.03
Molecular weight 416.05
XLogP 2.95
No. Lipinski's rules broken 0
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Canonical SMILES NC(SCCCc1cnc[nH]1)NCCc1ccc(cc1)I
Isomeric SMILES N[C@H](SCCCc1cnc[nH]1)NCCc1ccc(cc1)I
InChI InChI=1S/C15H21IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11,15,19H,1-2,7-9,17H2,(H,18,20)/t15-/m0/s1
1. Wieland K, Bongers G, Yamamoto Y, Hashimoto T, Yamatodani A, Menge WM, Timmerman H, Lovenberg TW, Leurs R. (2001)
Constitutive activity of histamine h(3) receptors stably expressed in SK-N-MC cells: display of agonism and inverse agonism by H(3) antagonists.
J Pharmacol Exp Ther, 299 (3): 908-14. [PMID:11714875]
2. Wulff BS, Hastrup S, Rimvall K. (2002)
Characteristics of recombinantly expressed rat and human histamine H3 receptors.
Eur J Pharmacol, 453 (1): 33-41. [PMID:12393057]
3. Zhu Y, Michalovich D, Wu H, Tan KB, Dytko GM, Mannan IJ, Boyce R, Alston J, Tierney LA, Li X et al.. (2001)
Cloning, expression, and pharmacological characterization of a novel human histamine receptor.
Mol Pharmacol, 59 (3): 434-41. [PMID:11179436]