Details of the Drug

General Information of Drug (ID: DMXANES)

• Drug Name: N-Phenylbenzo[d]oxazol-2-amine
• Synonyms: N-phenyl-1,3-benzoxazol-2-amine; 2-benzoxazolamine, n-phenyl-; MLS000564967; CHEMBL1269508; SMR000152172; N-Phenylbenzo[d]oxazol-2-amine; NSC53097; 2-anilinobenzoxazole; Enamine_001986; AC1L6BGG; AC1Q4WEW; 2-(Phenylamino)benzoxazole; Oprea1_506735; Oprea1_258700; cid_243391; SCHEMBL2658434; BDBM49481; BFLIOKCEGCUTNH-UHFFFAOYSA-N; HMS2433J13; HMS1399K06; 1,3-benzoxazol-2-yl(phenyl)amine; ZINC1684315; NSC-53097; BENZOOXAZOL-2-YL-PHENYL-AMINE; AKOS003001295; SC-56852; KB-302380; N-phenyl-2,3-dihydro-1,3-benzoxazol-2-imine

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); 210.23
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C13H10N2O
  IUPAC Name: N-phenyl-1,3-benzoxazol-2-amine
  Canonical SMILES: C1=CC=C(C=C1)NC2=NC3=CC=CC=C3O2
  InChI: InChI=1S/C13H10N2O/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-9H,(H,14,15)
  InChIKey: BFLIOKCEGCUTNH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 243391
  CAS Number: 6631-42-1
  TTD ID: D00JPV

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.