Molecule Details
| InChIKey | NGFGTMFVWSDFPS-UKRRQHHQSA-N |
|---|---|
| Compound Name | Mark-IN-2 |
| Canonical SMILES | Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(Cl)cnc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 32 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (32)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 8.3 | IC50 | ChEMBL;BindingDB |
| P53355 | DAPK1 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00531 PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 7.3 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| P54619 | PRKAG1 | Homo sapiens | Human | PF00571 | 7.3 | IC50 | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 7.3 | IC50 | ChEMBL |
| Q9Y478 | PRKAB1 | Homo sapiens | Human | PF16561 PF04739 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 7.2 | IC50 | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| O15264 | MAPK13 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q9P289 | STK26 | Homo sapiens | Human | PF20929 PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| O60285 | NUAK1 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 6.6 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| P51957 | NEK4 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.2 | IC50 | ChEMBL;BindingDB |
| P32298 | GRK4 | Homo sapiens | Human | PF00069 PF00615 | 6.2 | IC50 | ChEMBL;BindingDB |
| P41743 | PRKCI | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 6.1 | IC50 | ChEMBL;BindingDB |
| O00141 | SGK1 | Homo sapiens | Human | PF00069 PF00433 | 6.1 | IC50 | ChEMBL;BindingDB |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.1 | IC50 | ChEMBL;BindingDB |
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 6.0 | IC50 | ChEMBL;BindingDB |