ARTESUNATE

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN Prodrug
ATC: P01BE03
UNII: 60W3249T9M

Structure
InChI Key FIHJKUPKCHIPAT-AHIGJZGOSA-N
Smile C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
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
- - - - 4.77
Enzyme Transferase
- - - - 4.084-27.12
Enzyme
- 1600 - - 4.084-27.12
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -29.84-2.09

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria, Vivax 3 D016780 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Schistosomiasis haematobia 3 D012553 ClinicalTrials
Schistosomiasis 3 D012552 ClinicalTrials
Malaria, Falciparum 3 D016778 ClinicalTrials
Fever 3 D005334 ClinicalTrials
Cytomegalovirus Infections 3 D003586 ClinicalTrials
Intestinal Neoplasms 2 D007414 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Crohn Disease 2 D003424 ClinicalTrials
Conjunctivitis, Allergic 2 D003233 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Friedreich Ataxia 1 D005621 ClinicalTrials
Idiopathic Pulmonary Fibrosis 1 D054990 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 88495-63-0
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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