MITEMCINAL FUMARATE

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Synonyms
Status
Molecule Category Mixture
UNII XU63LQ260J

Structure

InChI Key IDLXWTNPDREJQZ-HSOMBQIOSA-N
Smiles CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)C(=O)[C@]1(C)OC.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C40H69NO12.C4H4O4/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;5-3(6)1-2-4(7)8/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H73NO16
Molecular Weight 872.06
AlogP 4.53
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 151.68
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 53.0

Pharmacology

Mechanism of Action Action Reference
Motilin receptor agonist AGONIST PubMed

Target Conservation

Protein: Motilin receptor
Description: Motilin receptor
Organism : Homo sapiens
O43193 ENSG00000102539

Cross References

Resources Reference
ChEMBL CHEMBL2105890
FDA SRS XU63LQ260J
PubChem 11513721
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