Details of the Drug

General Information of Drug (ID: DMRCJW0)

• Drug Name: 3-boronobenzoic acid
• Synonyms: 3-Carboxyphenylboronic acid; 25487-66-5; 3-Boronobenzoic acid; 3-(dihydroxyboranyl)benzoic acid; 3-Carboxybenzeneboronic Acid; m-Carboxyphenylboronic acid; Benzoic acid, 3-borono-; 3-(dihydroxyborane)benzoic acid; 3-Carboxyphenylboronicacid; 3-(DIHYDROXYBORYL)BENZOIC ACID; 3-phenyl ester boronic acid; 3-carboxy-phenyl-boronic acid; (3-carboxyphenyl)boronic acid; CHEMBL421765; MFCD00036833; 3-Carboxyphenylboronic acid, 97%; zlchem 425; PubChem1773; 3-borono-benzoic acid; ACMC-1CMDG; 3-carboxyphenyboronic acid; AC1MC01N

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 165.94
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C7H7BO4
  IUPAC Name: 3-boronobenzoic acid
  Canonical SMILES: B(C1=CC(=CC=C1)C(=O)O)(O)O
  InChI: InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)
  InChIKey: DBVFWZMQJQMJCB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2733957
  CAS Number: 25487-66-5
  TTD ID: D02KJI

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.