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
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.