Molecule Details
| InChIKey | HPNSFSBZBAHARI-RUDMXATFSA-N |
|---|---|
| Compound Name | Mycophenolic Acid |
| Canonical SMILES | COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.21 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01024 |
|---|---|
| Drug Name | Mycophenolic acid |
| CAS Number | 24280-93-1 |
| Groups | approved investigational |
| ATC Codes | L04AA06 |
| Description | Mycophenolic acid is a potent immunosuppressant agent that inhibits _de novo_ purine biosynthesis.[L42165] It was derived from _Penicillium stoloniferum_, and has also shown antibacterial, antifungal and antiviral properties.[A249170]. Mycophenolic acid is used in immunosuppressive regimens as part ... |
Categories: Acids, Acyclic Anti-Bacterial Agents Anti-Infective Agents Antibiotics, Antineoplastic Antimetabolite Immunosuppressant Antineoplastic and Immunomodulating Agents Caproates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C8 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Enzyme Inhibitors Fatty Acids Immunosuppressive Agents Mycophenolic Acid and Prodrugs Narrow Therapeutic Index Drugs Selective Immunosuppressants UGT1A1 Substrates UGT1A1 Substrates with a Narrow Therapeutic Index UGT1A6 Substrates with a Narrow Therapeutic Index UGT1A6 substrate UGT1A9 Substrates UGT1A9 Substrates with a Narrow Therapeutic Index UGT2B7 Substrates with a Narrow Therapeutic Index UGT2B7 substrates
Cross-references: BindingDB: 19264 ChEBI: 168396 CHEMBL866 ChemSpider: 393865 Drugs Product Database (DPD): 2139 PDB: MOA PharmGKB: PA164748728 PubChem:446541 PubChem:46504559 RxCUI: 265323 Therapeutic Targets Database: DAP000784 Wikipedia: Mycophenolic_acid ZINC: ZINC000000001758
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P12268 | IMPDH2 | Homo sapiens | Human | PF00571 PF00478 | 7.8 | IC50 | ChEMBL;BindingDB |
| P20839 | IMPDH1 | Homo sapiens | Human | PF00571 PF00478 | 7.5 | Ki | ChEMBL;BindingDB |
| P48449 | LSS | Homo sapiens | Human | PF13243 PF13249 | 6.6 | IC50 | BindingDB |
| Q5KP44 | Cryptococcus deneoformans (strain JEC21 / ATCC MYA-565) | Pathogen | PF00571 PF00478 | 6.9 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P19224 | UGT1A6 | UDP-glucuronosyltransferase 1A6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| Q9HAW7 | Q9HAW7 | UDP-glucuronosyltransferase 1A7 | substrate | enzymes |
| Q9HAW8 | Q9HAW8 | UDP-glucuronosyltransferase 1A10 | substrate | enzymes |
| Q9HAW9 | Q9HAW9 | UDP-glucuronosyltransferase 1A8 | substrate | enzymes |
| P12268 | IMPDH2 | Inosine-5'-monophosphate dehydrogenase 2 | inhibitor | targets |
| P20839 | IMPDH1 | Inosine-5'-monophosphate dehydrogenase 1 | inhibitor | targets |