Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0M9VY
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| Former ID |
DNC009187
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| Drug Name |
Halisulfate 1
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| Synonyms |
CHEBI:69280; CHEMBL387584; halisulfate 1, (rel)-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C31H47NaO6S
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| Canonical SMILES |
CC1=CCC2C(CCCC2(C1CC(C(C)CCCC(=CCC3=C(C=CC(=C3)O)O)C)OS(=O)(=O)[O-])C)(C)C.[Na+]
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| InChI |
1S/C31H48O6S.Na/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6;/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36);/q;+1/p-1/b21-11+;/t23-,26+,28-,29+,31-;/m1./s1
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| InChIKey |
MWESFEYZPAHLCJ-NHDYRKAGSA-M
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:69280
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Arachidonate 15-lipoxygenase (15-LOX) | Target Info | Inhibitor | [1] |
| Mycobacterium Isocitrate lyase (MycB icl) | Target Info | Inhibitor | [2] | |
| BioCyc | Resolvin D biosynthesis | |||
| Lipoxin biosynthesis | ||||
| KEGG Pathway | Arachidonic acid metabolism | |||
| Linoleic acid metabolism | ||||
| Metabolic pathways | ||||
| Serotonergic synapse | ||||
| Glyoxylate and dicarboxylate metabolism | ||||
| Metabolic pathways | ||||
| Biosynthesis of secondary metabolites | ||||
| Microbial metabolism in diverse environments | ||||
| Carbon metabolism | ||||
| NetPath Pathway | IL4 Signaling Pathway | |||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Pathwhiz Pathway | Arachidonic Acid Metabolism | |||
| Pathway Interaction Database | IL4-mediated signaling events | |||
| WikiPathways | Arachidonic acid metabolism | |||
| Eicosanoid Synthesis | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Exploring sponge-derived terpenoids for their potency and selectivity against 12-human, 15-human, and 15-soybean lipoxygenases. J Nat Prod. 2003 Feb;66(2):230-5. | |||
| REF 2 | Sesterterpene sulfates as isocitrate lyase inhibitors from tropical sponge Hippospongia sp. Bioorg Med Chem Lett. 2007 May 1;17(9):2483-6. | |||
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