Molecule Details
| InChIKey | NBSJZWFDNFWQDN-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(4-methylpiperazin-1-yl)-N-[4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-yl]quinolin-7-amine |
| Canonical SMILES | CC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ccnc5c4)n3)ccc2nn1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 29 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.97 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (29)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 9.2 | IC50 | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 9.1 | IC50 | ChEMBL;BindingDB |
| P24863 | CCNC | Homo sapiens | Human | PF16899 PF00134 | 9.0 | IC50 | ChEMBL;BindingDB |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 9.0 | IC50 | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.7 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL;BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | IC50 | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.7 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.6 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 8.3 | IC50 | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9NYV4 | CDK12 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| P30281 | CCND3 | Homo sapiens | Human | PF02984 PF00134 | 7.5 | IC50 | ChEMBL |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL |
| O94921 | CDK14 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL |
| Q8ND76 | CCNY | Homo sapiens | Human | PF00134 | 7.2 | IC50 | ChEMBL;BindingDB |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 7.1 | IC50 | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q14004 | CDK13 | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.7 | IC50 | ChEMBL;BindingDB |