ARTESUNATE

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Synonyms
Status
Molecule Category Free-form
ATC P01BE03
UNII 60W3249T9M

Structure

InChI Key FIHJKUPKCHIPAT-AHIGJZGOSA-N
Smiles C[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
InChI
InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28O8
Molecular Weight 384.43
AlogP 2.6
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 100.52
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -5.55-4.77
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- - - -
Equus caballus
- - - - 4.77
Homo sapiens
69-400 70-890 - - 40.21
Mus musculus
- 989 - - -
Plasmodium berghei
- - - - 38.5-100
Plasmodium berghei ANKA
- - - - 81-97
Plasmodium falciparum
2-30 0.3-259 - - 50
Plasmodium falciparum 3D7
1.97-9.7 0.48-9 - - -
Plasmodium falciparum 7G8
- 7.7-21.3 - - -
Plasmodium falciparum D10
- 6.3-27.7 - - -
Plasmodium falciparum Dd2
1.76 0.44-46 - - -
Plasmodium falciparum FCR-3/Gambia
- 2.1-2.5 - - -
Plasmodium falciparum K1
3.1 0.5-700 - - -
Plasmodium falciparum NF54
3-9.41 2.6-44 - - -
Plasmodium malariae
- 1.77-2.84 - - -
Plasmodium ovale
- 1.16-1.28 - - -
Plasmodium vivax
- 0.39-8 - - -
Toxoplasma gondii RH
213 - - - -

Related Entries

Cross References

Resources Reference
ChEBI 63918
ChEMBL CHEMBL361497
DrugBank DB09274
DrugCentral 247
FDA SRS 60W3249T9M
Human Metabolome Database HMDB0240267
Guide to Pharmacology 9956
PDB D95
PubChem 6917864
SureChEMBL SCHEMBL14552891
ZINC ZINC000014096305
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