Molecule Details
| InChIKey | PDXLFGGSCODVJA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[[5-Cyano-2-[4-methoxy-3-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide |
| Canonical SMILES | COc1ccc(Nc2ncc(C#N)c(Nc3ccccc3C(N)=O)n2)cc1N1CCN(C)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.64 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.5 | Kd | BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.1 | Kd | BindingDB |
| Q99640 | PKMYT1 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL;BindingDB |