Molecule Details
| InChIKey | AKHLCKMEVWGDGL-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-methyl-2-[[5-methyl-2-[3-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]amino]benzamide |
| Canonical SMILES | CNC(=O)c1ccccc1Nc1nc(Nc2cccc(CS(C)(=O)=O)c2)ncc1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.38 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.0 | Kd | BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.2 | Kd | BindingDB |
| Q99640 | PKMYT1 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL;BindingDB |
| D5JEH1 | Schistosoma mansoni | Pathogen | PF01094 PF07714 | 6.4 | Kd | ChEMBL |