MOXIDECTIN

Search structure
Trade Names:
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: Parent
ATC: P02CX03
UNII: NGU5H31YO9

Structure
InChI Key YZBLFMPOMVTDJY-LSGXYNIPSA-N
Smile CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C
InChI
InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H53NO8
Molecular Weight 639.83
AlogP 5.73
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 116.04
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 46.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Onchocerciasis 4 D009855 ClinicalTrials
Strongyloidiasis 3 D013322 ClinicalTrials
Elephantiasis, Filarial 3 D004605 ClinicalTrials
Infections 2 D007239 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 113507-06-5
ChEMBL CHEMBL2104415
DrugBank DB11431
DrugCentral 5286
FDA SRS NGU5H31YO9
PubChem 9832912
SureChEMBL SCHEMBL13112872
ZINC ZINC000169649308
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