Details of the Drug

General Information of Drug (ID: DMMDXEO)

• Drug Name: N-(2-Ethylphenyl)-5-methylbenzo[d]oxazol-2-amine
• Synonyms: CHEMBL1269649; N-(2-Ethylphenyl)-5-methylbenzo[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); 252.31
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H16N2O
  IUPAC Name: N-(2-ethylphenyl)-5-methyl-1,3-benzoxazol-2-amine
  Canonical SMILES: CCC1=CC=CC=C1NC2=NC3=C(O2)C=CC(=C3)C
  InChI: InChI=1S/C16H16N2O/c1-3-12-6-4-5-7-13(12)17-16-18-14-10-11(2)8-9-15(14)19-16/h4-10H,3H2,1-2H3,(H,17,18)
  InChIKey: KQXHDGZITMHOPQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 52940635
  TTD ID: D0E3CO

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.