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
  CAS Number: 1423-26-3
  TTD ID: D0OD3U

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.