Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05BFC
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| Former ID |
DNC004494
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| Drug Name |
ISOPPADS
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C14H14N3O12PS2
|
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| 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
|
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| 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-
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| InChIKey |
WARIPKKTQPDRAP-VKAVYKQESA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | P2X purinoceptor 3 | Target Info | Inhibitor | [2] | |
| P2X purinoceptor 7 | Target Info | Inhibitor | [1] | ||
| 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 1 | J 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 2 | J Med Chem. 2001 Feb 1;44(3):340-9.Structure-activity relationships of pyridoxal phosphate derivatives as potent and selective antagonists of P2X1 receptors. | ||||
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