ulimorelin   Click here for help

GtoPdb Ligand ID: 3535

Synonyms: TZP 101 | TZP-101 | TZP101
Compound class: Synthetic organic
Comment: Ulimorelin is a ghrelin receptor agonist that has been investigated as a potential treatment for gastrointestinal dysmotility.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 99.77
Molecular weight 538.3
XLogP 4.23
No. Lipinski's rules broken 0
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Canonical SMILES CC1CNC(C2CC2)C(=O)N(C)C(C)C(=O)NC(C(=O)NCCCc2c(O1)cccc2)Cc1ccc(cc1)F
Isomeric SMILES C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@@H](C(=O)NCCCc2c(O1)cccc2)Cc1ccc(cc1)F
InChI InChI=1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1
1. Shaw M, Pediconi C, McVey D, Mondou E, Quinn J, Chamblin B, Rousseau F. (2013)
Safety and efficacy of ulimorelin administered postoperatively to accelerate recovery of gastrointestinal motility following partial bowel resection: results of two randomized, placebo-controlled phase 3 trials.
Dis Colon Rectum, 56 (7): 888-97. [PMID:23739196]