ARTEMOTIL

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Synonyms
Status
Molecule Category Free-form
ATC P01BE04
UNII XGL7GFB9YI

Structure

InChI Key NLYNIRQVMRLPIQ-XQLAAWPRSA-N
Smiles CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
InChI
InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28O5
Molecular Weight 312.41
AlogP 3.23
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 46.15
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Gallus gallus
- - - - 29
Plasmodium falciparum
- 1.37-4.07 - - -
Plasmodium falciparum K1
- 1.08 - - -
Plasmodium yoelii nigeriensis
- - - - 100-100

Related Entries

Cross References

Resources Reference
ChEBI 135335
ChEMBL CHEMBL301267
DrugBank DB13851
DrugCentral 246
FDA SRS XGL7GFB9YI
Guide to Pharmacology 9958
PubChem 3000469
SureChEMBL SCHEMBL17156474
ZINC ZINC000008214360
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