Details of the Drug

General Information of Drug (ID: DM4SWJ7)

• Drug Name: 5-amino-2-p-tolyl-oxazole-4-carboxylic acid amide
• Synonyms: 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide; CHEMBL382993; 5-amino-2-p-tolyl-oxazole-4-carboxylic acid amide; CTK6B8237; MolPort-000-894-518; SBB024037; BDBM50186628; STK351079; ZINC12394806; AKOS000313592; MCULE-2038651256

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); 217.22
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H11N3O2
  IUPAC Name: 5-amino-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
  Canonical SMILES: CC1=CC=C(C=C1)C2=NC(=C(O2)N)C(=O)N
  InChI: InChI=1S/C11H11N3O2/c1-6-2-4-7(5-3-6)11-14-8(9(12)15)10(13)16-11/h2-5H,13H2,1H3,(H2,12,15)
  InChIKey: RSMHDVYJLCPVNY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11543063
  TTD ID: D01FPX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inhibitor of nuclear factor kappa-B kinase beta (IKKB)	TTJ3E9X	IKKB_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
Inhibitor of nuclear factor kappa-B kinase beta (IKKB)	DTT	IKBKB	5.74E-08	0.26	0.88

References

• [1] Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies. J Med Chem. 2006 May 18;49(10):2898-908.