Details of the Drug

General Information of Drug (ID: DM1R5SF)

• Drug Name: (5-Phenyl-oxazol-2-yl)-m-tolyl-amine
• Synonyms: GW632046X; N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine; 2-Anilino-5-aryloxazole 14; AC1NS7RH; SCHEMBL5475472; CHEMBL192417; BDBM5853; HMS3305J21; HMS3303N24; NCGC00242232-01

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); 250.29
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H14N2O
  IUPAC Name: N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
  Canonical SMILES: CC1=CC(=CC=C1)NC2=NC=C(O2)C3=CC=CC=C3
  InChI: InChI=1S/C16H14N2O/c1-12-6-5-9-14(10-12)18-16-17-11-15(19-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,17,18)
  InChIKey: XLGKHWGSIZWZNN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5329849
  TTD ID: D0D3YL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[1]
Vascular endothelial growth factor receptor 3 (FLT-4)	TTDCBX5	VGFR3_HUMAN	Inhibitor	[1]
VEGFR1 messenger RNA (VEGFR1 mRNA)	TT1VAUK	VGFR1_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
Vascular endothelial growth factor receptor 2 (KDR)	DTT	KDR	1.98E-01	0.11	0.2
Vascular endothelial growth factor receptor 3 (FLT-4)	DTT	FLT4	6.00E-01	-0.04	-0.23
VEGFR1 messenger RNA (VEGFR1 mRNA)	DTT	FLT1	1.64E-05	0.29	0.51

References

• [1] Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors. J Med Chem. 2005 Mar 10;48(5):1610-9.