Details of the Drug

General Information of Drug (ID: DM0Z1HJ)

• Drug Name: N-(3-Bromophenyl)-5-methoxybenzo[d]oxazol-2-amine
• Synonyms: CHEMBL1269727; N-(3-Bromophenyl)-5-methoxybenzo[d]oxazol-2-amine

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 319.15
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H11BrN2O2
  IUPAC Name: N-(3-bromophenyl)-5-methoxy-1,3-benzoxazol-2-amine
  Canonical SMILES: COC1=CC2=C(C=C1)OC(=N2)NC3=CC(=CC=C3)Br
  InChI: InChI=1S/C14H11BrN2O2/c1-18-11-5-6-13-12(8-11)17-14(19-13)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17)
  InChIKey: ACSVVIUPZPFHSQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16117936
  TTD ID: D0C4KD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_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
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	4.15E-01	-0.06	-0.15

References

• [1] Synthesis and evaluation of benzoxazole derivatives as 5-lipoxygenase inhibitors. Bioorg Med Chem. 2010 Nov 1;18(21):7580-5.