Details of the Drug

General Information of Drug (ID: DMBF5KW)

• Drug Name: 4-nonylphenylboronic acid
• Synonyms: 256383-45-6; 4-N-Nonylphenylboronic acid; 4-Nonylphenylboronic acid; (4-nonylphenyl)boronic Acid; 4-N-NONYLBENZENEBORONIC ACID; 4-N-Nonylphenylboronicacid; VONVJOGSLHAKOX-UHFFFAOYSA-N; AC1NEAO1; (4-nonylphenyl)boranediol; 4-nonylbenzene boronic acid; B-(4-Nonylphenyl)boronic acid; SCHEMBL3405525; CHEMBL485946; 4-(n-Nonyl)benzeneboronic Acid; BDBM26134; CTK8B1318; 1-Borono-4-(non-1-yl)benzene; DTXSID10404611; MolPort-000-931-545; Boronic acid,B-(4-nonylphenyl)-; 4-(Non-1-yl)benzeneboronic acid; ZX-AT001529; OR7244; CN-219

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 248.17
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 9
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 2
• Chemical Identifiers:
  Formula: C15H25BO2
  IUPAC Name: (4-nonylphenyl)boronic acid
  Canonical SMILES: B(C1=CC=C(C=C1)CCCCCCCCC)(O)O
  InChI: InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
  InChIKey: VONVJOGSLHAKOX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4589192
  CAS Number: 256383-45-6
  TTD ID: D0F1UD

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.