Molecule Details
| InChIKey | JBPUGFODGPKTDW-SFHVURJKSA-N |
|---|---|
| Canonical SMILES | COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.07 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04862 |
|---|---|
| Drug Name | Merimepodib |
| CAS Number | 198821-22-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Merimepodib (VX-497) is a novel noncompetitive inhibitor of IMPDH. Merimepodib is orally bioavailable and inhibits the proliferation of primary human, mouse, rat, and dog lymphocytes at concentrations of approximately 100 nM. |
Categories: Acids, Acyclic Amides Benzene Derivatives IMP Dehydrogenase, antagonists & inhibitors
Cross-references: BindingDB: 50102249 CHEMBL304087 ChemSpider: 135060 PubChem:153241 PubChem:175426871 ZINC: ZINC000003975663
Target Activities (2)
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P0C0H6 | guaB | Inosine-5'-monophosphate dehydrogenase | binder | targets |
| P00533 | EGFR | Epidermal growth factor receptor | inhibitor | targets |
| P04626 | ERBB2 | Receptor tyrosine-protein kinase erbB-2 | inhibitor | targets |
| P20839 | IMPDH1 | Inosine-5'-monophosphate dehydrogenase 1 | inhibitor | targets |