Drug Information

Drug General Information
Drug ID
D0M6KL
Former ID
DNC009196
Drug Name
(-)-7-N-methyldibromophakellin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527187]
Structure
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2D MOL

3D MOL
Formula
C12H13Br2N5O
Canonical SMILES
CN1C2C3(CCCN3C(=O)C4=CC(=C(N24)Br)Br)N=C1N
InChI
1S/C12H13Br2N5O/c1-17-10-12(16-11(17)15)3-2-4-18(12)9(20)7-5-6(13)8(14)19(7)10/h5,10H,2-4H2,1H3,(H2,15,16)/t10-,12+/m0/s1
InChIKey
YPAFHZXYEACLQB-CMPLNLGQSA-N
PubChem Compound ID
11211821
Target and Pathway
Target(s) Arachidonate 12-lipoxygenase, 12S-type Target Info Inhibitor [527187]
BioCyc Pathway Lipoxin biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Inflammatory mediator regulation of TRP channels
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Arachidonic acid metabolism
Eicosanoid Synthesis
References
Ref 527187J Nat Prod. 2004 Aug;67(8):1256-61.An analysis of phakellin and oroidin structures stimulated by further study of an Agelas sponge.
Ref 527187J Nat Prod. 2004 Aug;67(8):1256-61.An analysis of phakellin and oroidin structures stimulated by further study of an Agelas sponge.

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