Molecule Details
| InChIKey | ZDESNDWWUUVJLG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine |
| Canonical SMILES | Cc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)ccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.03 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.0 | IC50 | ChEMBL;BindingDB |
| W7JX98 | PKG | Plasmodium falciparum (isolate NF54) | Pathogen | PF00027 PF00069 | 8.4 | IC50 | ChEMBL |
| P62343 | CDPK1 | Plasmodium falciparum (isolate K1 / Thailand) | Pathogen | PF13499 PF00069 | 7.3 | Kd | BindingDB |
| Q8IBS5 | CDPK4 | Plasmodium falciparum (isolate 3D7) | Pathogen | PF13499 PF00069 | 7.3 | Kd | ChEMBL;BindingDB |
| Q8IHZ9 | CK1 | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00069 | 6.8 | Kd | ChEMBL;BindingDB |