Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R2UZ
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| Former ID |
DNC009542
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| Drug Name |
PSB-6426
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| Synonyms |
PSB-6426; CHEMBL469212; GTPL9033; SCHEMBL13210969; BDBM50262249; compound 19a [PMID: 18630897]; (2S,3S,4R,5R)-N-[2-[4-(diethoxyphosphorylmethyl)anilino]-2-oxoethyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide; 4-[2-((2S,3R,4S,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofurane-2-carboxamido)ethylamido-]benzylphosphonic Acid Diethyl Ester
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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 |
C22H29N4O10P
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| Canonical SMILES |
CCOP(=O)(CC1=CC=C(C=C1)NC(=O)CNC(=O)C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OCC
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| InChI |
1S/C22H29N4O10P/c1-3-34-37(33,35-4-2)12-13-5-7-14(8-6-13)24-16(28)11-23-20(31)19-17(29)18(30)21(36-19)26-10-9-15(27)25-22(26)32/h5-10,17-19,21,29-30H,3-4,11-12H2,1-2H3,(H,23,31)(H,24,28)(H,25,27,32)/t17-,18+,19-,21+/m0/s1
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| InChIKey |
AEVBPXDFDKBGLT-YOUFYPILSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Ectonucleoside triphosphate diphosphohydrolase 1 (CD39) | Target Info | Inhibitor | [1] |
| BioCyc | UTP and CTP dephosphorylation II | |||
| KEGG Pathway | Purine metabolism | |||
| Pyrimidine metabolism | ||||
| Epstein-Barr virus infection | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Selective nucleoside triphosphate diphosphohydrolase-2 (NTPDase2) inhibitors: nucleotide mimetics derived from uridine-5'-carboxamide. J Med Chem. 2008 Aug 14;51(15):4518-28. | |||
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