Molecule Details
| InChIKey | PSTULASZQVSGCG-SECBINFHSA-N |
|---|---|
| Compound Name | US12435089, Example 9 |
| Canonical SMILES | C[C@@H](Oc1ccn2ncc(C3=NOC(C)(C)N3)c2n1)c1c(Cl)ccc(F)c1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.23 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 8.6 | IC50 | BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.6 | IC50 | BindingDB |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 6.6 | IC50 | BindingDB |