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
SMILES / InChI / InChIKey
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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
InChI Key WGYPAJVJMXQXTR-ABNZCKJZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
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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