Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0B0ZQ
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| Former ID |
DNC008154
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| Drug Name |
RB 2
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [529152] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C29H17ClN7Na3O11S3
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC<br />5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])Cl)S(=O)(=O)[O<br />-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]
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| InChI |
1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3
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| InChIKey |
VZPXDCIISFTYOM-UHFFFAOYSA-K
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | P2Y purinoceptor 6 | Target Info | Inhibitor | [530711] | |
| 5'-Nucleotidase | Target Info | Inhibitor | [530711] | ||
| P2Y purinoceptor 2 | Target Info | Inhibitor | [529152] | ||
| NetPath Pathway | IL5 Signaling Pathway | ||||
| PANTHER Pathway | Purine metabolism | ||||
| Pyrimidine Metabolism | |||||
| Pathway Interaction Database | HIF-1-alpha transcription factor network | ||||
| WikiPathways | Nucleotide GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | |||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP2848:Differentiation Pathway | |||||
| miR-targeted genes in muscle cell - TarBase | |||||
| miR-targeted genes in lymphocytes - TarBase | |||||
| miR-targeted genes in epithelium - TarBase | |||||
| Metabolism of nucleotidesWP80:Nucleotide GPCRs | |||||
| GPCR downstream signaling | |||||
| References | |||||
| Ref 529152 | Bioorg Med Chem Lett. 2008 Jan 1;18(1):223-7. Epub 2007 Oct 30.Combinatorial synthesis of anilinoanthraquinone derivatives and evaluation as non-nucleotide-derived P2Y2 receptor antagonists. | ||||
| Ref 530711 | J Med Chem. 2010 Mar 11;53(5):2076-86.Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold. | ||||
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