Drug Information

Drug General Information
Drug ID
D0F2AD
Former ID
DIB019751
Drug Name
dioscin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [543106]
Structure
Download
2D MOL
Formula
C45H72O16
InChI
InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
InChIKey
VNONINPVFQTJOC-ZGXDEBHDSA-N
PubChem Compound ID
119245
PubChem Substance ID
11090, 10238407, 14840947, 15933642, 29300171, 57339398, 80797285, 103580769, 103818027, 104407876, 118055388, 124360702, 124757771, 125164575, 135650191, 136349508, 136367639, 137290150, 162037923, 162064800, 162187661, 163614426, 163614535, 163626642, 163908054, 164828665, 210280221, 210282200, 215767604, 224319034, 226838239, 252216682, 252359559, 252450033
Target and Pathway
Target(s) C-X-C chemokine receptor type 3 Target Info Antagonist [527495]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
NetPath Pathway IL2 Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
Pathway Interaction Database CXCR3-mediated signaling events
Reactome Chemokine receptors bind chemokines
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
GPCRs, Other
References
Ref 543106(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 840).
Ref 527495Discovery of structurally diverse natural product antagonists of chemokine receptor CXCR3. Mol Divers. 2005;9(1-3):123-9.

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