Details of the Drug

General Information of Drug (ID: DM15VBJ)

Drug Name
Artemisone
Synonyms
Artemifone; Artemisone, Medicines For Malaria Venture; MMV-00/1007; Artemisinin derviative, Bayer/WHO/Hong Kong University; Artemisone, Bayer/WHO/Hong Kong University; Semi-synthetic endoperoxide, Bayer/WHO/Hong Kong University
Indication
Disease Entry ICD 11 Status REF
Malaria 1F40-1F45 Phase 2/3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 401.5
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C19H31NO6S
IUPAC Name
4-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]-1,4-thiazinane 1,1-dioxide
Canonical SMILES
C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)N5CCS(=O)(=O)CC5)C
InChI
InChI=1S/C19H31NO6S/c1-12-4-5-15-13(2)16(20-8-10-27(21,22)11-9-20)23-17-19(15)14(12)6-7-18(3,24-17)25-26-19/h12-17H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19-/m1/s1
InChIKey
FDMUNKXWYMSZIR-NQWKWHCYSA-N
Cross-matching ID
PubChem CID
11531457
CAS Number
255730-18-8
UNII
796LMW5BUZ
DrugBank ID
DB16097
TTD ID
D06OZW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Beta-hematin formation (BHF) TT9X7H4 NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00936767) Artemisone for the Treatment of Uncomplicated Falciparum Malaria in Western Cambodia. U.S. National Institutes of Health.
2 Anticancer Properties of Distinct Antimalarial Drug Classes. PLoS One. 2013; 8(12): e82962.