Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Z1DQ
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| Former ID |
DIB018227
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| Drug Name |
[3H]A317491
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| Synonyms |
A-317491; 475205-49-3; UNII-H327N08IPV; H327N08IPV; A 317491; 5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid; A317491; VQGBOYBIENNKMI-LJAQVGFWSA-N; antagonist A-317491; [3H]A-317491; [3H]A 317491; SCHEMBL1160095; GTPL5407; GTPL4115; CHEMBL596234; CTK4J0070; BDBM86478; DTXSID40197185; MolPort-028-749-920; ZINC3990058; s8519; 475205-49-3 (free acid); AKOS030526820; CS-1250; NCGC00165956-01; 1,2,4-Benzenetricarboxylic acid,; [3H]A-317491
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C33H27NO8
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| Canonical SMILES |
C1CC(C2=CC=CC=C2C1)N(CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)C5=CC(=C(C=C5C(=O)O)C(=O)O)C(=O)O
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| InChI |
1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1
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| InChIKey |
VQGBOYBIENNKMI-LJAQVGFWSA-N
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| CAS Number |
CAS 475205-49-3
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | P2X purinoceptor 3 (P2RX3) | Target Info | Antagonist | [3] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| 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: 5407). | |||
| REF 2 | 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: 4115). | |||
| REF 3 | Crossing the pain barrier: P2 receptors as targets for novel analgesics. J Physiol. 2003 Dec 15;553(Pt 3):683-94. | |||
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