Molecule Details
| InChIKey | YCXOHEXZVKOGEV-DNRQZRRGSA-N |
|---|---|
| Compound Name | Tolinapant |
| Canonical SMILES | C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.1 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16160 |
|---|---|
| Drug Name | Tolinapant |
| CAS Number | 1799328-86-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | ASTX660 is under investigation in clinical trial NCT02503423 (Phase 1-2 Study of ASTX660 in Subjects With Advanced Solid Tumors and Lymphomas). |
Categories: Oxazines
Cross-references: BindingDB: 50450046 CHEMBL4173974 ChemSpider: 71061559
Target Activities (3)
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P98170 | XIAP | E3 ubiquitin-protein ligase XIAP | inhibitor | targets |