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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.