Details of the Drug

General Information of Drug (ID: DMSG9LV)

• Drug Name: 4-(Carboxyvin-2-Yl)Phenylboronic Acid
• Synonyms: 159896-15-8; (E)-3-(4-Boronophenyl)acrylic acid; 4-(2-Carboxyvinyl)phenylboronic acid; 3-(4-Boronophenyl)Acrylic Acid; 4-Boronocinnamic acid; 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID; 151169-68-5; 4-(E-2-Carboxyvinyl)phenylboronic acid; 4-(2-CARBOXYVINYL)BENZENEBORONIC ACID; C9H9BO4; CHEMBL139928; 4-phenylpropylester boronic acid; (2E)-3-[4-(DIHYDROXYBORANYL)PHENYL]PROP-2-ENOIC ACID; 4-(E-2-Carboxyvinyl)benzeneboronic acid; AC1NRANQ; 3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid; MolPort-000-931-601

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 191.98
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C9H9BO4
  IUPAC Name: (E)-3-(4-boronophenyl)prop-2-enoic acid
  Canonical SMILES: B(C1=CC=C(C=C1)/C=C/C(=O)O)(O)O
  InChI: InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
  InChIKey: IEMLKNHGGSYOMP-ZZXKWVIFSA-N
• Cross-matching ID:
  PubChem CID: 5288001
  DrugBank ID: DB02503
  TTD ID: D08LLS

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] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.