Molecule Details
| InChIKey | POAFYPSDLXGQBX-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(2-aminoethoxy)-3-(3-bromo-4-morpholin-4-ylphenyl)-7-fluoro-2H-isoquinolin-1-one |
| Canonical SMILES | NCCOc1c(-c2ccc(N3CCOCC3)c(Br)c2)[nH]c(=O)c2cc(F)ccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.12 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q9Y6F1 | PARP3 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 7.0 | Kd | ChEMBL;BindingDB |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 6.6 | Kd | ChEMBL;BindingDB |