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.
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 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
Click here for help
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
No information available.
Summary of Clinical Use Click here for help
Ulimorelin failed to significantly reduce the duration of postoperative ileus in Phase 3 clinical trials in patients undergoing bowel resection [1].