Molecule Details
| InChIKey | NRQARCCHBBGTDO-LCAJTWGOSA-N |
|---|---|
| Compound Name | (6S)-2-amino-6-[2-chloro-3-[(6-cyclopropyl-3-pyridinyl)amino]phenyl]-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-5H-pyrimidin-4-one |
| Canonical SMILES | C[C@H]1C[C@@H](N2C(=N)N[C@](C)(c3cccc(Nc4ccc(C5CC5)nc4)c3Cl)CC2=O)CCO1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.17 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 7.2 | IC50 | ChEMBL;BindingDB |
| P00797 | REN | Homo sapiens | Human | PF07966 PF00026 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q8IAS0 | PMX | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q8ILG2 | PMIX | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 6.6 | IC50 | ChEMBL;BindingDB |