Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0DZ1K
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| Former ID |
DNC014205
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| Drug Name |
PSB-0952
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| Synonyms |
CHEMBL590956
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C21H12FN2NaO7S
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=C(C=C(C=C4)F)C(=O)O)S(=O)(=O)[O-])N.[Na+]
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| InChI |
1S/C21H13FN2O7S.Na/c22-9-5-6-13(12(7-9)21(27)28)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26;/h1-8,24H,23H2,(H,27,28)(H,29,30,31);/q;+1/p-1
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| InChIKey |
MRYMOKKNOJHNGA-UHFFFAOYSA-M
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Ecto-5'-nucleotidase (CD73) | Target Info | Inhibitor | [1] |
| P2Y purinoceptor 6 (P2RY6) | Target Info | Inhibitor | [1] | |
| BioCyc | Purine nucleotides degradation | |||
| Urate biosynthesis/inosine 5'-phosphate degradation | ||||
| Adenosine nucleotides degradation | ||||
| KEGG Pathway | Purine metabolism | |||
| Pyrimidine metabolism | ||||
| Nicotinate and nicotinamide metabolism | ||||
| Metabolic pathways | ||||
| Neuroactive ligand-receptor interaction | ||||
| Panther Pathway | Purine metabolism | |||
| Pyrimidine Metabolism | ||||
| Pathway Interaction Database | HIF-1-alpha transcription factor network | |||
| Reactome | Purine catabolism | |||
| G alpha (q) signalling events | ||||
| P2Y receptors | ||||
| WikiPathways | Differentiation Pathway | |||
| miR-targeted genes in muscle cell - TarBase | ||||
| miR-targeted genes in lymphocytes - TarBase | ||||
| miR-targeted genes in epithelium - TarBase | ||||
| Metabolism of nucleotides | ||||
| Nucleotide GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold. J Med Chem. 2010 Mar 11;53(5):2076-86. | |||
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