mitemcinal   Click here for help

GtoPdb Ligand ID: 3511

Synonyms: GM-611 | GM611
Compound class: Synthetic organic
Comment: Mitemcinal is a non-peptide, orally active motilin receptor agonist that was developed by Chugai Pharmaceutical [6] as a prokinetic agent for the treatment of gastroparesis [5,7].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 151.68
Molecular weight 755.48
XLogP 2.66
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(C2(OC(=C(C)C2)C(C(=O)C1(C)OC)C)C)OC1OC(C)CC(C1O)N(C(C)C)C
Isomeric SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C
InChI InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39+,40-/m1/s1
InChI Key BELMMAAWNYFCGF-AQBNEDITSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(1S,2R,3S,4S,5R,8R,9R,11S)-8-ethyl-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methyl-propan-2-ylamino)oxan-2-yl]oxy-9-methoxy-1,3,5,9,11,13-hexamethyl-7,15-dioxabicyclo[10.2.1]pentadec-12-ene-6,10-dione
International Nonproprietary Names Click here for help
INN number INN
8171 mitemcinal
Synonyms Click here for help
GM-611 | GM611
Database Links Click here for help
CAS Registry No. 154738-42-8 (source: Scifinder)
ChEMBL Ligand CHEMBL1778156
GtoPdb PubChem SID 178100497
PubChem CID 177964
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Wikipedia Mitemcinal