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]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#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
DrugBank ID: DB11744
TTD ID: D00NXM

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.