Drug Information

Drug General Information
Drug ID
D0S5OU
Former ID
DIB019444
Drug Name
compound 31
Drug Type
Small molecular drug
Indication Discovery agent Investigative [532772], [543154]
Structure
Download
2D MOL
Formula
C26H23ClN6
InChI
InChI=1S/C26H23ClN6/c1-18-17-32(11-12-33(18)25-10-7-20(15-28)16-29-25)26-23-14-21(27)8-9-22(23)24(30-31-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1
InChIKey
XUZUIICAPXZZDU-GOSISDBHSA-N
PubChem Compound ID
73729049
PubChem Substance ID
103929438, 177900201, 223444259, 242649142, 252166675
Target and Pathway
Target(s) Sphingosine 1 phosphate lyase 1 Target Info Inhibitor [532772]
KEGG Pathway Sphingolipid metabolism
Metabolic pathways
Sphingolipid signaling pathway
Pathway Interaction Database Sphingosine 1-phosphate (S1P) pathway
PathWhiz Pathway Sphingolipid Metabolism
Reactome Sphingolipid de novo biosynthesis
WikiPathways Sphingolipid metabolism
References
Ref 532772Orally active 7-substituted (4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as active-site inhibitors of sphingosine 1-phosphate lyase for the treatment of multiple sclerosis. J MedChem. 2014 Jun 26;57(12):5074-84.
Ref 543154(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: 8465).
Ref 532772Orally active 7-substituted (4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as active-site inhibitors of sphingosine 1-phosphate lyase for the treatment of multiple sclerosis. J MedChem. 2014 Jun 26;57(12):5074-84.

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