fluorescent MIF ligand B

Ligand id: 9987

Name: fluorescent MIF ligand B  

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 17
Topological polar surface area 234.3
Molecular weight 881.26
XLogP 7.16
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-{5-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-yl}carbamothioyl)amino]pentyl}-4-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)butanamide
Comments
Fluorescent MIF ligand B is reported in Cisneros et al. (2016) [1]. It is a macrophage migration inhibitory factor (MIF) inhibitor tethered to fluorescein to generate a probe suitable for fluorescence polarization assay determination of dissociation constant (Kd) of MIF inhibitors as an alternative to the Ki or IC50 values that are obtained from tautomerization assays.
Database Links
GtoPdb PubChem SID 374883874
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