Details of the Drug

General Information of Drug (ID: DMNJ0XZ)

• Drug Name: 5-Methyl-N-phenylbenzo[d]oxazol-2-amine
• Synonyms: CHEMBL1269622; 5-Methyl-N-phenylbenzo[d]oxazol-2-amine; SCHEMBL13436713; BDBM50329396; N-Phenyl-5-methylbenzoxazole-2-amine; (5-methyl-benzooxazol-2-yl)-phenyl-amine; 5-methyl-N-phenyl-1,3-benzoxazol-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); 224.26
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H12N2O
  IUPAC Name: 5-methyl-N-phenyl-1,3-benzoxazol-2-amine
  Canonical SMILES: CC1=CC2=C(C=C1)OC(=N2)NC3=CC=CC=C3
  InChI: InChI=1S/C14H12N2O/c1-10-7-8-13-12(9-10)16-14(17-13)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
  InChIKey: SJERMAXXFIXBCQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 12751500
  TTD ID: D0H4MV

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.