Details of the Drug

General Information of Drug (ID: DM3N9O5)

• Drug Name: 4-(5-Phenyl-oxazol-2-ylamino)-benzenesulfonamide
• Synonyms: GW572399X; 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide; 2-Anilino-5-aryloxazole 15; AC1NS7RK; CHEMBL194062; BDBM5854; HMS3303D13; HMS3305L11; NCGC00242064-01; AB01092072-01

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); 315.3
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C15H13N3O3S
  IUPAC Name: 4-[(5-phenyl-1,3-oxazol-2-yl)amino]benzenesulfonamide
  Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=C(C=C3)S(=O)(=O)N
  InChI: InChI=1S/C15H13N3O3S/c16-22(19,20)13-8-6-12(7-9-13)18-15-17-10-14(21-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H2,16,19,20)
  InChIKey: OKFOIEMZTIOWQH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5329850
  TTD ID: D09LEK

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.