Details of the Drug

General Information of Drug (ID: DMPBLM2)

• Drug Name: 3-(5-Phenyl-oxazol-2-ylamino)-benzonitrile
• Synonyms: 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile; GW627834A; 2-Anilino-5-aryloxazole 10; AC1NS7R5; BDBM5849; CHEMBL192413; NCGC00241897-01; AB01092081-01; N-(3-Cyanophenyl)-5-phenyl-1,3-oxazol-2-amine Hydrochloride

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); 261.279
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H11N3O
  IUPAC Name: 3-[(5-phenyl-1,3-oxazol-2-yl)amino]benzonitrile
  Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=CC(=C3)C#N
  InChI: InChI=1S/C16H11N3O/c17-10-12-5-4-8-14(9-12)19-16-18-11-15(20-16)13-6-2-1-3-7-13/h1-9,11H,(H,18,19)
  InChIKey: VZMXZHOJAGFSNF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5329845
  TTD ID: D0J2XD

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.