Molecule Details
| InChIKey | ZJDFSKSBQBPOSK-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-5-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-2-methylbenzamide |
| Canonical SMILES | COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3C)c2N)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 24 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.02 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (24)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.7 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.7 | pIC50 | TTD_MultiTarget |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 8.6 | IC50 | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 8.5 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 8.5 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 8.5 | IC50 | ChEMBL |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 8.5 | IC50 | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 8.4 | IC50 | ChEMBL;BindingDB |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.3 | IC50 | ChEMBL |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.3 | pIC50 | TTD_MultiTarget |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.0 | IC50 | ChEMBL;BindingDB |
| P06729 | CD2 | Homo sapiens | Human | PF05790 PF07686 | 7.8 | pIC50 | TTD_MultiTarget |
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 7.7 | IC50 | ChEMBL;BindingDB |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 7.3 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.0 | IC50 | ChEMBL;BindingDB |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 7.0 | pIC50 | TTD_MultiTarget |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.6 | IC50 | ChEMBL;BindingDB |