Molecule Details
| InChIKey | YPAQXRURXUKFGB-UHFFFAOYSA-N |
|---|---|
| Compound Name | (rac)-4-{4-Fluoro-2-[(3-fluorobenzyl)oxy]phenyl}-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine |
| Canonical SMILES | CS(=N)(=O)Cc1cccc(Nc2ncnc(-c3ccc(F)cc3OCc3cccc(F)c3)n2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.64 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.7 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.7 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |