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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 |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | 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. 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. |
| 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 |
|---|---|
| 2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate | ChemIDplus |
| MMF | ChEBI |
| mycophenolic acid morpholinoethyl ester | ChemIDplus |
| RS 61443 | KEGG COMPOUND |
| RS 61443 | KEGG COMPOUND |
| Brand Name | Source |
|---|---|
| Cellcept | KEGG DRUG |
| Manual Xrefs | Databases |
|---|---|
| 1859 | DrugCentral |
| C07908 | KEGG COMPOUND |
| D00752 | KEGG DRUG |
| DB00688 | DrugBank |
| HMDB0014826 | HMDB |
| Mycophenolate_mofetil | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7500599 | Reaxys |
| CAS:128794-94-5 | ChemIDplus |
| CAS:128794-94-5 | KEGG COMPOUND |
| Citations |
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