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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL382993
TTD ID
D01FPX
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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]
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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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.