Molecule Details
| InChIKey | MOTJMGVDPWRKOC-QPVYNBJUSA-N |
|---|---|
| Compound Name | Atrasentan |
| Canonical SMILES | CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06199 |
|---|---|
| Drug Name | Atrasentan |
| CAS Number | 173937-91-2 |
| Groups | approved investigational |
| ATC Codes | nan |
| Description | Atrasentan is a novel, selective endothelin A receptor antagonist (SERA).[L52855] In April 2025, atrasentan was granted accelerated approval by the FDA for the reduction of proteinuria in patients with primary IgA nephropathy, becoming the first endothelin A receptor antagonist to be approved for th... |
Categories: Antineoplastic Agents Benzodioxoles Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) 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 Dioxoles Endothelin A Receptor Antagonists Endothelin Receptor Antagonists Heterocyclic Compounds, Fused-Ring OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates OATP1B3 inhibitors OATP1B3 substrates P-glycoprotein inhibitors P-glycoprotein substrates Pyrrolidines
Cross-references: BindingDB: 50051007 ChEBI: 135810 CHEMBL9194 ChemSpider: 140321 PubChem:159594 RxCUI: 2710449 Wikipedia: Atrasentan ZINC: ZINC000003812144
Target Activities (2)
DrugBank Target Actions (17)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A Subfamily | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A Subfamily | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A Subfamily | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferases (UGTs) | substrate | enzymes |
| P24530 | EDNRB | Endothelin receptor type B | antagonist | targets |
| P25101 | EDNRA | Endothelin-1 receptor | antagonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | substrate | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | substrate | transporters |