Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02TNK
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| Former ID |
DNC009926
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| Drug Name |
STYLISSADINE B
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| Synonyms |
Stylissadine B
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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 |
C52H50Br8F12N20O17
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| Canonical SMILES |
C1=C(NC(=C1Br)Br)C(=O)NCC2C(C(C34C2C5(C(N=C(N5)N)OC3N=C(N4)N)O)OC6C(C(C7C68C(N=C(N8)N)OC9C7(NC(=N9)N)O)CNC(=O)C1=CC(=C(N1)Br)Br)CNC(=O)C1=CC(=C(N1)Br)Br)CNC(=O)C1=CC(=C(N1)Br)Br.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
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| InChI |
1S/C44H46Br8N20O9.4C2HF3O2/c45-13-1-17(61-25(13)49)29(73)57-5-9-11(7-59-31(75)19-3-15(47)27(51)63-19)23(41-21(9)43(77)35(67-39(55)71-43)80-33(41)65-37(53)69-41)79-24-12(8-60-32(76)20-4-16(48)28(52)64-20)10(6-58-30(74)18-2-14(46)26(50)62-18)22-42(24)34(66-38(54)70-42)81-36-44(22,78)72-40(56)68-36;4*3-2(4,5)1(6)7/h1-4,9-12,21-24,33-36,61-64,77-78H,5-8H2,(H,57,73)(H,58,74)(H,59,75)(H,60,76)(H3,53,65,69)(H3,54,66,70)(H3,55,67,71)(H3,56,68,72);4*(H,6,7)/t9-,10-,11-,12-,21-,22+,23+,24+,33+,34+,35-,36-,41+,42+,43-,44-;;;;/m1..../s1
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| InChIKey |
PWAQCZXQKIUIBJ-JGPXLICKSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | P2X purinoceptor 7 (P2RX7) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Reactome | The NLRP3 inflammasome | |||
| WikiPathways | Nucleotide-binding domain, leucine rich repeat containing receptor (NLR) signaling pathways | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Purinergic P2X(7) receptor antagonists: Chemistry and fundamentals of biological screening. Bioorg Med Chem. 2009 Jul 15;17(14):4861-5. | |||
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