Details of the Drug

General Information of Drug (ID: DM8GBH4)

Drug Name
2-(4-hydroxystyryl)quinolin-8-ol
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) 263.29
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H13NO2
IUPAC Name
2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-8-ol
Canonical SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C17H13NO2/c19-15-10-5-12(6-11-15)4-8-14-9-7-13-2-1-3-16(20)17(13)18-14/h1-11,19-20H/b8-4+
InChIKey
YMSHSKJZBZKCOR-XBXARRHUSA-N
Cross-matching ID
PubChem CID
135500760
TTD ID
D03QDS

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 Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening. J Med Chem. 2009 Jan 22;52(2):416-24.