Details of the Drug

General Information of Drug (ID: DML3OHW)

• Drug Name: Thiophene-2-ylboronic acid
• Synonyms: thiophene-2-ylboronic acid; CHEMBL236759; SCHEMBL13630729

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 129.979
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 1
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 3
• Chemical Identifiers:
  Formula: C4H7BO2S
  IUPAC Name: 2,3-dihydrothiophen-5-ylboronic acid
  Canonical SMILES: B(C1=CCCS1)(O)O
  InChI: InChI=1S/C4H7BO2S/c6-5(7)4-2-1-3-8-4/h2,6-7H,1,3H2
  InChIKey: HBWATGYSAHIWIX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44435718
  TTD ID: D05PVX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Staphylococcus Beta-lactamase (Stap-coc blaZ)	TTHI19T	BLAC_STAAU	Inhibitor	[1]

References

• [1] Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacy. J Med Chem. 2007 Nov 15;50(23):5644-54.