Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0S5OU
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| Former ID |
DIB019444
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| Drug Name |
PMID24809814C31
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| Synonyms |
4q6r; GTPL8465; BDBM50018282; 30J
Click to Show/Hide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C26H23ClN6
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| Canonical SMILES |
CC1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=C3C=C(C=C4)Cl)CC5=CC=CC=C5
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| 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
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| InChIKey |
XUZUIICAPXZZDU-GOSISDBHSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:79045
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Sphingosine-1-phosphate lyase 1 (SGPL1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Sphingolipid metabolism | |||
| Metabolic pathways | ||||
| Sphingolipid signaling pathway | ||||
| Pathwhiz Pathway | Sphingolipid Metabolism | |||
| Pathway Interaction Database | Sphingosine 1-phosphate (S1P) pathway | |||
| Reactome | Sphingolipid de novo biosynthesis | |||
| WikiPathways | Sphingolipid metabolism | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Orally 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 2 | URL: 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). | |||
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