Molecule Details
| InChIKey | OSAWFUCUZJNEID-CQSZACIVSA-N |
|---|---|
| Compound Name | 5-(1,3-benzodioxol-5-yl)-7-[[(2R)-1-ethenylsulfonylpyrrolidin-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine |
| Canonical SMILES | C=CS(=O)(=O)N1CCC[C@@H]1Cn1cc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.66 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 7.4 | IC50 | ChEMBL;BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.2 | IC50 | ChEMBL;BindingDB |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.1 | IC50 | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.0 | IC50 | ChEMBL;BindingDB |
| P42680 | TEC | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.9 | IC50 | ChEMBL;BindingDB |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.9 | IC50 | ChEMBL;BindingDB |
| O14733 | MAP2K7 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | IC50 | ChEMBL;BindingDB |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.7 | IC50 | ChEMBL;BindingDB |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | IC50 | ChEMBL;BindingDB |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 6.4 | IC50 | ChEMBL;BindingDB |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | IC50 | ChEMBL;BindingDB |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.3 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.2 | IC50 | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.1 | IC50 | ChEMBL;BindingDB |
| P42681 | TXK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.0 | IC50 | ChEMBL |