Molecule Details
| InChIKey | MUOKSQABCJCOPU-UHFFFAOYSA-N |
|---|---|
| Compound Name | Silmitasertib |
| Canonical SMILES | O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 36 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15408 |
|---|---|
| Drug Name | Silmitasertib |
| CAS Number | 1009820-21-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Silmitasertib is under investigation in clinical trial NCT03904862 (Testing the Safety and Tolerability of CX-4945 in Patients With Recurrent Medulloblastoma Who May or May Not Have Surgery). |
Categories: Casein Kinase II, antagonists & inhibitors Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50335638 CHEMBL1230165 ChemSpider: 25057795 PDB: 3NG Wikipedia: Silmitasertib ZINC: ZINC000058638454
Target Activities (36)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P67870 | CSNK2B | Homo sapiens | Human | PF01214 | 8.8 | IC50 | ChEMBL |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q8NEV1 | CSNK2A3 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL;BindingDB |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL |
| P49674 | CSNK1E | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL;BindingDB |
| P78368 | CSNK1G2 | Homo sapiens | Human | PF12605 PF00069 | 8.4 | IC50 | ChEMBL |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 8.4 | IC50 | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q16644 | MAPKAPK3 | Homo sapiens | Human | PF00069 | 7.6 | Kd | ChEMBL |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 7.5 | IC50 | ChEMBL;BindingDB |
| P49761 | CLK3 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q9H422 | HIPK3 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 7.2 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.2 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 7.2 | IC50 | ChEMBL |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 7.0 | Kd | ChEMBL |
| Q92630 | DYRK2 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.7 | Kd | ChEMBL |
| Q9UGJ0 | PRKAG2 | Homo sapiens | Human | PF00571 | 6.5 | Kd | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 6.2 | Kd | ChEMBL |
| Q9UPZ9 | CILK1 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P68400 | CSNK2A1 | Casein kinase II subunit alpha | inhibitor | targets |