Molecule Details
| InChIKey | PELIWNRKLAFPFO-OCCSQVGLSA-N |
|---|---|
| Compound Name | US20230339978, Example 2 |
| Canonical SMILES | O=C(Nc1cc2cc(-c3cnc4[nH]ccc4c3Cl)ccn2n1)[C@@H]1C[C@@H]1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.98 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 8.2 | IC50 | BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 8.1 | IC50 | BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 7.6 | IC50 | BindingDB |