Drug Information

Drug General Information
Drug ID
D05BFC
Former ID
DNC004494
Drug Name
ISOPPADS
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528976]
Structure
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2D MOL

3D MOL
Formula
C14H14N3O12PS2
Canonical SMILES
CC1=NC(=NNC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C(=C(C1=O<br />)C=O)COP(=O)(O)O
InChI
1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-4-8(31(23,24)25)2-3-12(11)32(26,27)28/h2-5,16H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-14-
InChIKey
WARIPKKTQPDRAP-VKAVYKQESA-N
PubChem Compound ID
5975975
Target and Pathway
Target(s) P2X purinoceptor 3 Target Info Inhibitor [526106]
P2X purinoceptor 7 Target Info Inhibitor [528976]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
Reactome The NLRP3 inflammasome
WikiPathways Nucleotide-binding domain, leucine rich repeat containing receptor (NLR) signaling pathways
References
Ref 528976J Med Chem. 2007 Sep 6;50(18):4543-7. Epub 2007 Aug 3.Structure-activity relationship studies of spinorphin as a potent and selective human P2X(3) receptor antagonist.
Ref 526106J Med Chem. 2001 Feb 1;44(3):340-9.Structure-activity relationships of pyridoxal phosphate derivatives as potent and selective antagonists of P2X1 receptors.
Ref 528976J Med Chem. 2007 Sep 6;50(18):4543-7. Epub 2007 Aug 3.Structure-activity relationship studies of spinorphin as a potent and selective human P2X(3) receptor antagonist.

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