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
  ChEBI ID: CHEMBL20945
  CAS Number: 13331-27-6
  UNII: JLC765W4PN
  DrugBank ID: DB02797
  TTD ID: D0J7EL
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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.