Molecule Details
| InChIKey | YBXRSCXGRPSTMW-CYBMUJFWSA-N |
|---|---|
| Compound Name | Elimusertib |
| Canonical SMILES | C[C@@H]1COCCN1c1cc(-c2ccnn2C)c2ccnc(-c3ccn[nH]3)c2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19041 |
|---|---|
| Drug Name | Elimusertib |
| CAS Number | 1876467-74-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Elimusertib is under investigation in clinical trial NCT05071209 (Elimusertib for the Treatment of Relapsed or Refractory Solid Tumors). |
Categories: Oxazines
Cross-references: CHEMBL4647810 ChemSpider: 64854199
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13535 | ATR | Homo sapiens | Human | PF02259 PF02260 PF23593 PF25030 PF25032 PF00454 PF08064 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q8WXE1 | ATRIP | Homo sapiens | Human | — | 8.1 | IC50 | ChEMBL;BindingDB |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | 7.6 | Kd | ChEMBL;BindingDB |
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 6.5 | IC50 | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9BVS4 | RIOK2 | Homo sapiens | Human | PF01163 PF09202 | 6.2 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q13535 | ATR | Serine/threonine-protein kinase ATR | inhibitor | targets |