Molecule Details
| InChIKey | XTVULKIROSNNTG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(4-(hydroxymethyl)phenyl)thiazole-4-carboxylic acid |
| Canonical SMILES | O=C(Nc1nc2ccccc2s1)c1cccc2c1CN(c1nc(C(=O)O)c(-c3ccc(CO)cc3)s1)CC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 29 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.19 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (29)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.7 | Ki | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.6 | Ki | ChEMBL |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.3 | Ki | ChEMBL |
| Q06418 | TYRO3 | Homo sapiens | Human | PF00041 PF07679 PF07714 | 6.3 | Ki | ChEMBL |
| Q8IU85 | CAMK1D | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.2 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.0 | Ki | ChEMBL |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.0 | Ki | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 6.0 | Ki | ChEMBL |
| P34947 | GRK5 | Homo sapiens | Human | PF00069 PF00615 | 6.0 | Ki | ChEMBL |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.0 | Ki | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q9UQM7 | CAMK2A | Homo sapiens | Human | PF08332 PF00069 | 6.0 | Ki | ChEMBL |