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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9251 ulimorelin
Synonyms Click here for help
TZP 101 | TZP-101 | TZP101
Database Links Click here for help
CAS Registry No. 842131-33-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1963249
GtoPdb PubChem SID 178100514
PubChem CID 11526696
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