MITEMCINAL FUMARATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XU63LQ260J

Structure
InChI Key IDLXWTNPDREJQZ-HSOMBQIOSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Motilin receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroparesis 2 D018589 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2105890
FDA SRS XU63LQ260J
PubChem 11513721
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