Details of the Drug

General Information of Drug (ID: DMG9MN2)

• Drug Name: SAR97276
• Synonyms: Albitiazolium bromide; UNII-3AC0AJ4ILP; 3AC0AJ4ILP; 321915-72-4; SAR 97276; Albitiazolium bromide [INN]; SCHEMBL2017697; CHEMBL520613; DTXSID60185968; 3,3'-(Dodecan-1,12-diyl)bis(5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium) dibromide; AN-28886; 2-[3-[12-[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]dodecyl]-4-methyl-thiazol-3-ium-5-yl]ethanol dibromide

Indication

Disease Entry	ICD 11	Status	REF
Malaria	1F40-1F45	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 454.7
  Logarithm of the Partition Coefficient (xlogp); 6.5
  Rotatable Bond Count (rotbonds); 17
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C24H42N2O2S2+2
  IUPAC Name: 2-[3-[12-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]dodecyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
  Canonical SMILES: CC1=C(SC=[N+]1CCCCCCCCCCCC[N+]2=CSC(=C2C)CCO)CCO
  InChI: InChI=1S/C24H42N2O2S2/c1-21-23(13-17-27)29-19-25(21)15-11-9-7-5-3-4-6-8-10-12-16-26-20-30-24(14-18-28)22(26)2/h19-20,27-28H,3-18H2,1-2H3/q+2
  InChIKey: UZPXHZIQHWKNPF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11377023
  CAS Number: 753439-46-2
  TTD ID: D02ETY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodial phospholipid metabolism (PPP metab)	TTQ2GJ0	NOUNIPROTAC	Antagonist	[2]

References

• [1] ClinicalTrials.gov (NCT00739206) Study of SAR97276A in the Treatment of Uncomplicated and Severe Malaria in Adults and Children.. U.S. National Institutes of Health.
• [2] Transport and pharmacodynamics of albitiazolium, an antimalarial drug candidate. Br J Pharmacol. 2012 August; 166(8): 2263-2276.