Molecule Details
| InChIKey | GLDSKRNGVVYJAB-DQSJHHFOSA-N |
|---|---|
| Canonical SMILES | CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(/Nc1ccc(CN3CCCCC3)cc1)c1ccccc1)C(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 16 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.29 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (16)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9P289 | STK26 | Homo sapiens | Human | PF20929 PF00069 | 8.2 | IC50 | ChEMBL |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 8.0 | Kd | ChEMBL |
| Q9Y6E0 | STK24 | Homo sapiens | Human | PF20929 PF00069 | 8.0 | IC50 | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 7.7 | Kd | ChEMBL |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 7.5 | Kd | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 7.5 | Kd | ChEMBL |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 7.3 | Kd | ChEMBL |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.1 | Kd | ChEMBL |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 7.1 | Kd | ChEMBL |
| Q8IWQ3 | BRSK2 | Homo sapiens | Human | PF21122 PF00069 PF21115 | 7.0 | Kd | ChEMBL |
| O75676 | RPS6KA4 | Homo sapiens | Human | PF00069 PF00433 | 7.0 | Kd | ChEMBL |
| P07332 | FES | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.8 | Kd | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| O75460 | ERN1 | Homo sapiens | Human | PF00069 PF06479 | 6.1 | IC50 | BindingDB |