Details of the Drug

General Information of Drug (ID: DMMWYI9)

• Drug Name: 4-phenoxyphenylboronic acid
• Synonyms: 4-Phenoxyphenylboronic acid; 51067-38-0; (4-phenoxyphenyl)boronic acid; 4-Phenoxybenzeneboronic acid; (4-Phenoxyphenyl)Boranediol; CHEMBL459151; Boronic acid, (4-phenoxyphenyl)-; MFCD00093312; 4-Phenoxyphenylboronic acid, 95+%; 4-phenoxyphenyl boronic acid; PubChem7890; phenoxyphenylboronic acid; ACMC-209krn; AC1MC0ZX; SCHEMBL9285; 4-phenyoxyphenylboronic acid; 4-phenoxy-phenylboronic acid; 4-Phenoxyphenyl-boronic acid; KSC489K8J; 4-phenoxy-phenyl boronic acid; AC1Q715Q; (4-phenoxyphenyl) 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; 214.03
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 3
• Chemical Identifiers:
  Formula: C12H11BO3
  IUPAC Name: (4-phenoxyphenyl)boronic acid
  Canonical SMILES: B(C1=CC=C(C=C1)OC2=CC=CC=C2)(O)O
  InChI: InChI=1S/C12H11BO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9,14-15H
  InChIKey: KFXUHRXGLWUOJT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2734377
  ChEBI ID: CHEMBL459151
  CAS Number: 51067-38-0
  TTD ID: D0D2JA
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Carbonic anhydrase I (CA-I)	DTT	CA1	5.23E-14	-0.11	-0.41
Carbonic anhydrase II (CA-II)	DTT	CA2	7.95E-08	0.52	0.33

References

• [1] Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids. Bioorg Med Chem Lett. 2009 May 15;19(10):2642-5.