Molecule Details
| InChIKey | VSJXTUFWPAOYLC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2,6-Dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-YL)propoxy)phenylamino)pyrimidin-4-YL(2,4-dimethoxyphenyl)carbamate |
| Canonical SMILES | COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.34 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.2 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 9.0 | IC50 | ChEMBL;BindingDB |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 7.9 | pIC50 | TTD_MultiTarget |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 7.9 | pIC50 | TTD_MultiTarget |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.0 | IC50 | ChEMBL;BindingDB |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.8 | pIC50 | TTD_MultiTarget |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.8 | IC50 | ChEMBL;BindingDB |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 6.7 | IC50 | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.6 | IC50 | ChEMBL;BindingDB |
| P43403 | ZAP70 | Homo sapiens | Human | PF07714 PF00017 | 6.4 | IC50 | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |