Molecule Details
| InChIKey | JGRXMPYUTJLTKT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Vadadustat |
| Canonical SMILES | O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.45 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12255 |
|---|---|
| Drug Name | Vadadustat |
| CAS Number | 1000025-07-9 |
| Groups | approved investigational |
| ATC Codes | B03XA08 |
| Description | One of the most common symptoms of advanced renal disease is anemia, caused primarily by the inability of the kidney to respond to anemic conditions with a corresponding increase in [erythropoietin] (EPO) production.[A244165] The treatment of anemia associated with chronic kidney disease (CKD) has t... |
Categories: Amino Acids Amino Acids, Peptides, and Proteins Antianemic Preparations BCRP/ABCG2 Inhibitors Blood and Blood Forming Organs Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (weak) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Erythropoiesis-Stimulating Agents Hypoxia-Inducible Factor-Proline Dioxygenases, antagonists & inhibitors Hypoxia-inducible Factor Prolyl Hydroxylase Inhibitor OAT3/SLC22A8 Inhibitors OAT3/SLC22A8 Substrates Pyridines UGT1A1 Inducers UGT1A1 Substrates UGT1A9 Substrates UGT2B7 substrates
Cross-references: BindingDB: 107704 CHEMBL3646221 ChemSpider: 34958379 PDB: A1Z PubChem:23634441 PubChem:347828530 RxCUI: 2679296 Wikipedia: Vadadustat ZINC: ZINC000117532869
Target Activities (3)
DrugBank Target Actions (20)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | downregulator | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | inducer | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| Q9HAW7 | Q9HAW7 | UDP-glucuronosyltransferase 1A7 | substrate | enzymes |
| Q9HAW9 | Q9HAW9 | UDP-glucuronosyltransferase 1A8 | substrate | enzymes |
| Q96KS0 | EGLN2 | Prolyl hydroxylase EGLN2 | inhibitor | targets |
| Q9GZT9 | EGLN1 | Egl nine homolog 1 | inhibitor | targets |
| Q9H6Z9 | EGLN3 | Prolyl hydroxylase EGLN3 | inhibitor | targets |
| Q16665 | HIF1A | Hypoxia-inducible factor 1-alpha | stabilization | targets |
| Q99814 | EPAS1 | Endothelial PAS domain-containing protein 1 | stabilization | targets |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |