Molecule Details
| InChIKey | DBXGGXLBTWZXBB-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8H-Purin-8-one, 2-(6-fluoro-1H-benzimidazol-1-yl)-9-[(4R)-8-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl]-7,9-dihydro- |
| Canonical SMILES | O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 39 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.78 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (39)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.3 | Ki | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.3 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 8.0 | Ki | ChEMBL |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 7.7 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.6 | Ki | ChEMBL |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 7.3 | Ki | ChEMBL |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.2 | Ki | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 7.1 | Ki | ChEMBL |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 7.1 | Ki | ChEMBL |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 7.1 | Ki | ChEMBL |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 7.0 | Ki | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.9 | Ki | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.9 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.8 | Ki | ChEMBL |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.8 | Ki | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.7 | Ki | ChEMBL |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.7 | Ki | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.6 | Ki | ChEMBL |
| P15735 | PHKG2 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.6 | Ki | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.6 | Ki | ChEMBL |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 6.6 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| P07332 | FES | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.5 | Ki | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 6.5 | Ki | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.5 | Ki | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | Ki | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.4 | Ki | ChEMBL |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.4 | Ki | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| Q13555 | CAMK2G | Homo sapiens | Human | PF08332 PF00069 | 6.3 | Ki | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 6.2 | Ki | ChEMBL |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.2 | Ki | ChEMBL |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.2 | Ki | ChEMBL |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.1 | Ki | ChEMBL |
| Q96KB5 | PBK | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |