Molecule Details
| InChIKey | QRHDTFFVGFIUKH-FQEVSTJZSA-N |
|---|---|
| Compound Name | US9605005, Example 53 |
| Canonical SMILES | CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cccnc43)c2)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.84 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14920 | IKBKB | Homo sapiens | Human | PF18397 PF12179 PF00069 | 10.1 | Ki | BindingDB |
| Q99558 | MAP3K14 | Homo sapiens | Human | PF00069 | 9.6 | Ki | ChEMBL;BindingDB |
| P98161 | PKD1 | Homo sapiens | Human | PF00059 PF13855 PF00801 PF08016 PF01477 PF20519 PF02010 PF01822 | 6.8 | IC50 | ChEMBL |