ARTEMISININ

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN Prodrug
ATC: P01BE01
UNII: 9RMU91N5K2

Structure
InChI Key BLUAFEHZUWYNDE-DKGJTOOQSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
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 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 2000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6
600 8400-12100 - 4600 -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
5900 50000-50000 - 25000 -
Enzyme Hydrolase
- - - - -8.099-1.578
Enzyme Oxidoreductase
- 158489.32-171900 - - 0
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M2 family
- - - - 17.05
Enzyme Transferase
- - - - -4.514-0.41
Enzyme
5900 8800-10800 530 25000 -4.514-0.41
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 5.92-14.63
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
30000 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 104.69

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 63968-64-9
ChEMBL CHEMBL567597
FDA SRS 9RMU91N5K2
Guide to Pharmacology 9954
PubChem 9838675
SureChEMBL SCHEMBL60303
ZINC ZINC000100014791
CONTENTS