Details of the Drug

General Information of Drug (ID: DM4B5JY)

• Drug Name: 3-(trifluoromethyl)phenylboronic acid
• Synonyms: 1423-26-3; 3-(Trifluoromethyl)phenylboronic acid; 3-Trifluoromethylphenylboronic acid; (3-(Trifluoromethyl)phenyl)boronic acid; [3-(trifluoromethyl)phenyl]boronic Acid; 3-(Trifluoromethyl)benzeneboronic acid; 3-(Trifluoromethyl)phenylbornic acid; m-(trifluoromethyl)phenylboronic acid; CHEMBL336239; 3-trifluoromethylphenyl boronic acid; MFCD00151854; [3-(Trifluoromethyl)Phenyl]Boranediol; 3-(trifluoromethyl)benzene boronic acid; Boronic acid, [3-(trifluoromethyl)phenyl]-; Boronic acid, B-[3-(trifluoromethyl)phenyl]-

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 189.93
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 1
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C7H6BF3O2
  IUPAC Name: [3-(trifluoromethyl)phenyl]boronic acid
  Canonical SMILES: B(C1=CC(=CC=C1)C(F)(F)F)(O)O
  InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H
  InChIKey: WOAORAPRPVIATR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2734388
  ChEBI ID: CHEMBL336239
  CAS Number: 1423-26-3
  TTD ID: D0OD3U
• 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
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	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
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

References

• [1] Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. J Med Chem. 2008 Nov 27;51(22):7057-60.