Molecule Details
| InChIKey | BQPLWJRDSDNGNE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-Chloro-8-(2-hydroxyethoxy)-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile |
| Canonical SMILES | N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 8.1 | Ki | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 7.6 | Ki | ChEMBL |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 7.3 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.9 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 6.5 | Ki | ChEMBL |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.5 | Ki | ChEMBL |
| O14920 | IKBKB | Homo sapiens | Human | PF18397 PF12179 PF00069 | 6.3 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.2 | Ki | ChEMBL |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 6.1 | Ki | ChEMBL |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 6.1 | Ki | ChEMBL |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.0 | Ki | ChEMBL |