Details of the Drug

General Information of Drug (ID: DMLFI7Q)

• Drug Name: GSK-2251052
• Synonyms: ABX; AN-3365; GSK '052; Boron-based LeuRS inhibitors (Gram-negative bacterial infection), Anacor/GSK; Boron-based leucyl-tRNA synthetase inhibitors (bacterial infection), Anacor/GSK

Indication

Disease Entry	ICD 11	Status	REF
Urinary tract infection	GC08	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 237.06
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 5
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C11H16BNO4
  IUPAC Name: 3-[[(3S)-3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol
  Canonical SMILES: B1(C2=C(C=CC=C2OCCCO)[C@H](O1)CN)O
  InChI: InChI=1S/C11H16BNO4/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10/h1,3-4,10,14-15H,2,5-7,13H2/t10-/m1/s1
  InChIKey: FXQIIDINBDJDKL-SNVBAGLBSA-N
• Cross-matching ID:
  PubChem CID: 46836890
  CAS Number: 1093643-37-8
  UNII: 6MC93Z2DF9
  DrugBank ID: DB11744
  TTD ID: D00NXM
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Staphylococcus Leucyl-tRNA synthetase (Stap-coc leuS)	TT37GL6	SYL_STAAE	Inhibitor	[2]

References

• [1] ClinicalTrials.gov (NCT01381549) GSK2251052 in Complicated Urinary Tract Infection. U.S. National Institutes of Health.
• [2] Bacterial resistance to leucyl-tRNA synthetase inhibitor GSK2251052 develops during treatment of complicated urinary tract infections. Antimicrob Agents Chemother. 2015 Jan;59(1):289-98.