Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0U5ML
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| Former ID |
DNC008312
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| Drug Name |
A-740003
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| Synonyms |
A-740003; 861393-28-4; A 740003; n-(1-(((cyanoamino)(5-quinolinylimino)methyl)amino)-2,2-dimethylpropyl)-3,4-dimethoxybenzeneacetamide; (E)-N-(1-((cyanamido(quinolin-5-ylamino)methylene)amino)-2,2-dimethylpropyl)-2-(3,4-dimethoxyphenyl)acetamide; CHEMBL255787; SCHEMBL3357263; MolPort-044-567-676; EX-A1789; AKOS022184697; RL05324; CS-0297; Benzeneacetamide, N-(1-(((cyanoamino)(5-quinolinylamino)methylene)amino)-2,2-dimethylpropyl)-3,4-dimethoxy-; HY-50697; Benzeneacetamide, N-(1-(((cyanoamino)(5-quinolinylimino)methyl)ami
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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 |
C26H30N6O3
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| Canonical SMILES |
CC(C)(C)C(NC(=O)CC1=CC(=C(C=C1)OC)OC)N=C(NC#N)NC2=CC=CC3=C2C=CC=N3
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| InChI |
1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)
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| InChIKey |
PUHSRMSFDASMAE-UHFFFAOYSA-N
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| CAS Number |
CAS 861393-28-4
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | P2X purinoceptor 7 (P2RX7) | Target Info | Inhibitor | [2] |
| 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 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4119). | |||
| REF 2 | 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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