Molecule Details
| InChIKey | XSTRJMHOLBBWNN-JOCHJYFZSA-N |
|---|---|
| Compound Name | (7R)-8-cyclopentyl-2-[4-[5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyanilino]-7-ethyl-5-methyl-7H-pteridin-6-one |
| Canonical SMILES | CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4noc(CN5CCCNCC5)n4)cc3OC)nc2N1C1CCCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.17 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 9.5 | IC50 | ChEMBL |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 8.3 | IC50 | ChEMBL |
| Q9NYY3 | PLK2 | Homo sapiens | Human | PF00069 PF00659 | 8.2 | IC50 | ChEMBL |
| O60885 | BRD4 | Homo sapiens | Human | PF17035 PF17105 PF00439 | 6.7 | IC50 | ChEMBL |