Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0M9VY
|
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| Former ID |
DNC009187
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| Drug Name |
Halisulfate 1
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [526556] | ||
| Structure |
|
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<br />(=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 | |||||
| Target and Pathway | |||||
| Target(s) | Arachidonate 15-lipoxygenase | Target Info | Inhibitor | [526556] | |
| Isocitrate lyase | Target Info | Inhibitor | [528696] | ||
| BioCyc Pathway | Resolvin D biosynthesis | ||||
| Lipoxin biosynthesis | |||||
| NetPath Pathway | IL4 Signaling Pathway | ||||
| Pathway Interaction Database | IL4-mediated signaling events | ||||
| PathWhiz Pathway | Arachidonic Acid Metabolism | ||||
| WikiPathways | Arachidonic acid metabolism | ||||
| Eicosanoid Synthesis | |||||
| References | |||||
| Ref 526556 | J Nat Prod. 2003 Feb;66(2):230-5.Exploring sponge-derived terpenoids for their potency and selectivity against 12-human, 15-human, and 15-soybean lipoxygenases. | ||||
| Ref 528696 | Bioorg Med Chem Lett. 2007 May 1;17(9):2483-6. Epub 2007 Feb 13.Sesterterpene sulfates as isocitrate lyase inhibitors from tropical sponge Hippospongia sp. | ||||
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