Molecule Details
| InChIKey | KXPWWMPXNUOYOH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-(3-Aminopropoxy)-4-[4-[(6-chloro-1,3-benzoxazol-2-yl)amino]phenyl]-2,3-dihydroisoindol-1-one |
| Canonical SMILES | NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 24 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.59 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (24)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 7.4 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.2 | Ki | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 7.1 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 7.0 | Ki | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.0 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.8 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.8 | Ki | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| P78368 | CSNK1G2 | Homo sapiens | Human | PF12605 PF00069 | 6.5 | Ki | ChEMBL |
| Q13976 | PRKG1 | Homo sapiens | Human | PF00027 PF16808 PF00069 | 6.5 | Ki | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | Ki | ChEMBL |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.4 | Ki | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.4 | Ki | ChEMBL |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.3 | Ki | ChEMBL |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 6.3 | Ki | ChEMBL |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q96SB4 | SRPK1 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P05129 | PRKCG | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.1 | Ki | ChEMBL |
| P15735 | PHKG2 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |