Details of the Drug

General Information of Drug (ID: DM2SKP7)

• Drug Name: 5-Chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine
• Synonyms: CHEMBL1269621; 5-Chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine; SCHEMBL12095512

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 272.73
  Logarithm of the Partition Coefficient (xlogp); 5.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H13ClN2O
  IUPAC Name: 5-chloro-N-(4-ethylphenyl)-1,3-benzoxazol-2-amine
  Canonical SMILES: CCC1=CC=C(C=C1)NC2=NC3=C(O2)C=CC(=C3)Cl
  InChI: InChI=1S/C15H13ClN2O/c1-2-10-3-6-12(7-4-10)17-15-18-13-9-11(16)5-8-14(13)19-15/h3-9H,2H2,1H3,(H,17,18)
  InChIKey: CKVTZZTZMCGPHV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 49843567
  TTD ID: D0U9UL

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.