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CHEBI:8764 - mycophenolate mofetil
| Formula | C23H31NO7 |
| Net Charge | 0 |
| Average Mass | 433.501 |
| Monoisotopic Mass | 433.21005 |
| SMILES | COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2 |
| InChI | InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+ |
| InChIKey | RTGDFNSFWBGLEC-SYZQJQIISA-N |
| Wikipedia |
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| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. EC 1.1.1.205 (IMP dehydrogenase) inhibitor An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of IMP dehydrogenase (EC 1.1.1.205), so blocking de novo biosynthesis of purine nucleotides. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. |
| Applications: | immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. 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) |
| mycophenolate mofetil (CHEBI:8764) has functional parent 2-(morpholin-4-yl)ethanol (CHEBI:67144) |
| mycophenolate mofetil (CHEBI:8764) has functional parent mycophenolic acid (CHEBI:168396) |
| mycophenolate mofetil (CHEBI:8764) has role anticoronaviral agent (CHEBI:149553) |
| mycophenolate mofetil (CHEBI:8764) has role EC 1.1.1.205 (IMP dehydrogenase) inhibitor (CHEBI:53746) |
| mycophenolate mofetil (CHEBI:8764) has role immunosuppressive agent (CHEBI:35705) |
| mycophenolate mofetil (CHEBI:8764) has role prodrug (CHEBI:50266) |
| mycophenolate mofetil (CHEBI:8764) is a carboxylic ester (CHEBI:33308) |
| mycophenolate mofetil (CHEBI:8764) is a ether (CHEBI:25698) |
| mycophenolate mofetil (CHEBI:8764) is a phenols (CHEBI:33853) |
| mycophenolate mofetil (CHEBI:8764) is a tertiary amino compound (CHEBI:50996) |
| mycophenolate mofetil (CHEBI:8764) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| 2-(morpholin-4-yl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate |
| Synonyms | Source |
|---|---|
| RS 61443 | KEGG COMPOUND |
| 2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate | ChemIDplus |
| mycophenolic acid morpholinoethyl ester | ChemIDplus |
| MMF | ChEBI |
| RS 61443 | KEGG COMPOUND |
| Brand Name | Source |
|---|---|
| Cellcept | KEGG DRUG |
| Manual Xrefs | Databases |
|---|---|
| C07908 | KEGG COMPOUND |
| D00752 | KEGG DRUG |
| Mycophenolate_mofetil | Wikipedia |
| DB00688 | DrugBank |
| HMDB0014826 | HMDB |
| 1859 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7500599 | Reaxys |
| CAS:128794-94-5 | KEGG COMPOUND |
| CAS:128794-94-5 | ChemIDplus |
| Citations |
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