Details of the Drug

General Information of Drug (ID: DMGPKIY)

Drug Name
3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one
Synonyms CHEMBL1256155; 3-benzyl-6-methylbenzo[d]oxazol-2(3H)-one; SCHEMBL243468; HYWGUCHKPHXSGZ-UHFFFAOYSA-N; BDBM50327347
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) 239.27
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H13NO2
IUPAC Name
3-benzyl-6-methyl-1,3-benzoxazol-2-one
Canonical SMILES
CC1=CC2=C(C=C1)N(C(=O)O2)CC3=CC=CC=C3
InChI
InChI=1S/C15H13NO2/c1-11-7-8-13-14(9-11)18-15(17)16(13)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
HYWGUCHKPHXSGZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
52950186
TTD ID
D03IWC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
MIF messenger RNA (MIF mRNA) TT6804T MIF_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF). Bioorg Med Chem Lett. 2010 Oct 1;20(19):5811-4.