Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A3QB
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| Former ID |
DNC005192
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| Drug Name |
Polybrominated diphenyl ether derivative
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| Synonyms |
Bastadin 7
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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 |
C34H26Br4N4O8
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| Canonical SMILES |
C1CNC(=O)C(=NO)CC2=CC(=C(C=C2)OC3=C(C(=CC(=C3)CC(=NO)C(=O)NC=CC4=CC(=C(C=C4)OC5=C(C(=CC1=C5)Br)O)Br)Br)O)Br
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| InChI |
1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,43-44,47-48H,6,8,13-14H2,(H,39,46)(H,40,45)/b7-5+,41-25+,42-26+
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| InChIKey |
ZDBNBLMYAGHTJD-HIHPLZGUSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Arachidonate 12-lipoxygenase (12-LOX) | Target Info | Inhibitor | [1] |
| Arachidonate 15-lipoxygenase (15-LOX) | Target Info | Inhibitor | [1] | |
| BioCyc | Lipoxin biosynthesis | |||
| Resolvin D biosynthesis | ||||
| KEGG Pathway | Arachidonic acid metabolism | |||
| Metabolic pathways | ||||
| Serotonergic synapse | ||||
| Inflammatory mediator regulation of TRP channels | ||||
| Linoleic acid 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 | Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase. J Med Chem. 2004 Jul 29;47(16):4060-5. | |||
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