Molecule Details
| InChIKey | HUEWJYKTEUFKCD-BODITIBLSA-N |
|---|---|
| Compound Name | US10392376, Example 43a |
| Canonical SMILES | C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2COC2)nc(-c2ccnc(N)c2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 6.79 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q15116 | PDCD1 | Homo sapiens | Human | PF07686 | 6.8 | IC50 | ChEMBL |
| Q8WXE1 | ATRIP | Homo sapiens | Human | — | 6.8 | IC50 | ChEMBL;BindingDB |
| Q9NZQ7 | CD274 | Homo sapiens | Human | PF08205 PF07686 | 6.8 | IC50 | ChEMBL |
| Q13535 | ATR | Homo sapiens | Human | PF02259 PF02260 PF23593 PF25030 PF25032 PF00454 PF08064 | 6.6 | IC50 | ChEMBL |