Details of the Drug

General Information of Drug (ID: DMPITR9)

• Drug Name: 5-boronothiophene-2-carboxylic acid
• Synonyms: 465515-31-5; 2-Carboxythiophene-5-boronic acid; 5-Carboxythiophene-2-boronic acid; 5-boronothiophene-2-carboxylic acid; 5-(dihydroxyboryl)thiophene-2-carboxylic acid; 5-(Dihydroxyboryl)-2-thiophenecarboxylic acid; C5H5BO4S; CHEMBL573906; 5-(dihydroxyboranyl)thiophene-2-carboxylic acid; AF-399/25053010; AK-26004; PubChem7851; AC1MCWDJ; ACMC-1AP1P; SCHEMBL363172; KS-00000JEI; CTK1D5505; 2-Carboxythiophene-5-boronicacid; DTXSID90381557; MolPort-000-144-982; OQGIKNPOYTVNNF-UHFFFAOYSA-N; 2-Carboxy-5-thiopheneboronic acid

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 171.97
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C5H5BO4S
  IUPAC Name: 5-boronothiophene-2-carboxylic acid
  Canonical SMILES: B(C1=CC=C(S1)C(=O)O)(O)O
  InChI: InChI=1S/C5H5BO4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,9-10H,(H,7,8)
  InChIKey: OQGIKNPOYTVNNF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2779807
  CAS Number: 465515-31-5
  TTD ID: D0JV5J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial DD-carboxypeptidase (Bact vanYB)	TTLP6GN	VANY_ENTFA	Inhibitor	[1]

References

• [1] Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. J Med Chem. 2009 Oct 8;52(19):6097-106.