Molecule Details
| InChIKey | ZHJGWYRLJUCMRT-QGZVFWFLSA-N |
|---|---|
| Compound Name | 5-(6-((4-Methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-2-thiophenecarboxamide |
| Canonical SMILES | C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 18 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (18)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 8.7 | Ki | ChEMBL;BindingDB |
| Q9H093 | NUAK2 | Homo sapiens | Human | PF00069 | 7.6 | Kd | ChEMBL;BindingDB |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 7.2 | Kd | ChEMBL;BindingDB |
| Q13233 | MAP3K1 | Homo sapiens | Human | PF21040 PF00069 PF04434 | 7.0 | Kd | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.7 | Kd | ChEMBL;BindingDB |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P51955 | NEK2 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| Q9UK32 | RPS6KA6 | Homo sapiens | Human | PF00069 PF00433 | 6.5 | Kd | ChEMBL;BindingDB |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9NYY3 | PLK2 | Homo sapiens | Human | PF00069 PF00659 | 6.3 | Kd | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.2 | Kd | ChEMBL;BindingDB |
| O75676 | RPS6KA4 | Homo sapiens | Human | PF00069 PF00433 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 6.1 | Kd | ChEMBL;BindingDB |
| Q99755 | PIP5K1A | Homo sapiens | Human | PF01504 | 6.1 | Kd | ChEMBL;BindingDB |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q9UQM7 | CAMK2A | Homo sapiens | Human | PF08332 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |