Molecule Details
| InChIKey | GQGMUKOYILWOIQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | trans-5-(3-Benzyloxy-phenyl)-6-methyl-7-(3-pyrrolidin-1-ylmethyl-cyclobutyl)-7h-pyrrolo[2,3-d]pyrimidin-4-ylamine |
| Canonical SMILES | Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CC(CN2CCCC2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 25 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.59 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (25)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.0 | Ki | ChEMBL |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 7.8 | Ki | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.6 | Ki | ChEMBL |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 7.2 | Ki | ChEMBL |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 7.0 | Ki | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 6.9 | Ki | ChEMBL |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.9 | Ki | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | Ki | ChEMBL |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.6 | Ki | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.5 | Ki | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.5 | Ki | ChEMBL |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.4 | Ki | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.3 | Ki | ChEMBL |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.3 | Ki | ChEMBL |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 6.3 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.3 | Ki | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.3 | Ki | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.2 | Ki | ChEMBL |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Ki | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.2 | Ki | ChEMBL |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.1 | Ki | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.0 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 6.0 | Ki | ChEMBL |