ARTEMISININ

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Synonyms
Status
Molecule Category Free-form
ATC P01BE01
UNII 9RMU91N5K2

Structure

InChI Key BLUAFEHZUWYNDE-DKGJTOOQSA-N
Smiles C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4
InChI
InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14+,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22O5
Molecular Weight 282.34
AlogP 2.39
Hydrogen Bond Acceptor 5.0
Polar Surface Area 53.99
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6
600 - - - -
Enzyme Hydrolase
- - - - 2.43-35.64
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 76.16-104.69
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Balamuthia mandrillaris
- - - - 34-52
Cricetulus griseus
- - - - 76.16-104.69
Cryptococcus neoformans
- 250 - - -
Electrophorus electricus
- - - - 2.43
Equus caballus
- - - - 35.64
Gallus gallus
- - - - 25-30
Homo sapiens
600 - - - -
Ipomoea grandifolia
- - - - 93.6-95
Mus musculus
10 980 - - -
Plasmodium
- 9 - - -
Plasmodium berghei
- 9.4-10 - - -
Plasmodium falciparum
4-48 0-79 150 79 99.9
Plasmodium falciparum 3D7
10 6.1-159 - - 100
Plasmodium falciparum 7G8
- 1.3-25.3 - - -
Plasmodium falciparum D10
- 14-62.3 - - -
Plasmodium falciparum D6
20-25 9-40 - - -
Plasmodium falciparum Dd2
- 0.82-49 - - -
Plasmodium falciparum FC27/Papua New Guinea
- 8 - - -
Plasmodium falciparum FCR-3/Gambia
- 5 - - -
Plasmodium falciparum FcB1/Columbia
- 12.2 - - -
Plasmodium falciparum HB3
11 3 - - -
Plasmodium falciparum K1
3-6 2.8-200 - - 100
Plasmodium falciparum Mad20/Papua New Guinea
- 8 - - -
Plasmodium falciparum NF54
- 4.3-8.9 - - -
Plasmodium yoelii
- - - - 100-100
Pneumocystis carinii
- - - - 55
Toxoplasma gondii
800 640 - - -
Urochloa decumbens
- - - - 93.6-95

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL567597
FDA SRS 9RMU91N5K2
Guide to Pharmacology 9954
PubChem 68827
SureChEMBL SCHEMBL60303
ZINC ZINC000100014791
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