Details of the Drug

General Information of Drug (ID: DMPMX8R)

• Drug Name: 3-Nitrophenylboronic Acid
• Synonyms: 3-nitrophenylboronic acid; 13331-27-6; (3-nitrophenyl)boronic acid; 3-Nitrobenzeneboronic acid; m-Nitrophenylboronic acid; Boronic acid, (3-nitrophenyl)-; Benzeneboronic acid, m-nitro-; m-Nitrobenzeneboronic acid; 3-Nitrophenyl boronic acid; Boronic acid, B-(3-nitrophenyl)-; m-nitophenyl boronic acid; NSC 59739; BRN 2938638; 3-nitro-phenyl boronic acid; CHEMBL20945; AI3-60393; MFCD00007193; WLN: WNR CBQQ; 3-Nitrophenylboronic acid, 97%; zlchem 233; PubChem6366; AC1L1BZL; (3-nitrophenyl)boranediol; 3-nitropenyl boronic 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; 166.93
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 1
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C6H6BNO4
  IUPAC Name: (3-nitrophenyl)boronic acid
  Canonical SMILES: B(C1=CC(=CC=C1)[N+](=O)[O-])(O)O
  InChI: InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H
  InChIKey: ZNRGSYUVFVNSAW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1677
  CAS Number: 13331-27-6
  UNII: JLC765W4PN
  DrugBank ID: DB02797
  TTD ID: D0J7EL

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.