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CHEBI:31175 - adefovir pivoxil
| Formula | C20H32N5O8P |
| Net Charge | 0 |
| Average Mass | 501.477 |
| Monoisotopic Mass | 501.19885 |
| SMILES | CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C |
| InChI | InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23) |
| InChIKey | WOZSCQDILHKSGG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | HIV-1 reverse transcriptase inhibitor An entity which inhibits the activity of HIV-1 reverse transcriptase. nephrotoxic agent A role played by any chemical compound (natural or synthetic) exhibiting itself through the ability to induce damage to the kidneys. DNA synthesis inhibitor Any substance that inhibits the synthesis of DNA. antiviral drug A substance used in the prophylaxis or therapy of virus diseases. |
| Applications: | antiviral drug A substance used in the prophylaxis or therapy of virus diseases. prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| adefovir pivoxil (CHEBI:31175) has functional parent adefovir (CHEBI:2469) |
| adefovir pivoxil (CHEBI:31175) has role antiviral drug (CHEBI:36044) |
| adefovir pivoxil (CHEBI:31175) has role DNA synthesis inhibitor (CHEBI:59517) |
| adefovir pivoxil (CHEBI:31175) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756) |
| adefovir pivoxil (CHEBI:31175) has role nephrotoxic agent (CHEBI:50909) |
| adefovir pivoxil (CHEBI:31175) has role prodrug (CHEBI:50266) |
| adefovir pivoxil (CHEBI:31175) is a 6-aminopurines (CHEBI:20706) |
| adefovir pivoxil (CHEBI:31175) is a carbonate ester (CHEBI:46722) |
| adefovir pivoxil (CHEBI:31175) is a ether (CHEBI:25698) |
| adefovir pivoxil (CHEBI:31175) is a organic phosphonate (CHEBI:37592) |
| IUPAC Name |
|---|
| ({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphoryl)bis(oxymethanediyl) bis(2,2-dimethylpropanoate) |
| Synonyms | Source |
|---|---|
| (((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) 2,2-dimethylpropanoate | ChemIDplus |
| 9-(2-((-Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine | HMDB |
| 9-(2-((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine | ChemIDplus |
| Adefovir dipivoxil | KEGG DRUG |
| GS 0840 | ChemIDplus |
| GS-0840 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 88 | DrugCentral |
| D01655 | KEGG DRUG |
| DB00718 | DrugBank |
| HMDB0014856 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:29413415 | Reaxys |
| CAS:142340-99-6 | ChemIDplus |
| CAS:142340-99-6 | KEGG DRUG |
| Citations |
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