Molecule Details
| InChIKey | VROSTPWCFHKXPW-LLVKDONJSA-N |
|---|---|
| Compound Name | US12435089, Example 71 |
| Canonical SMILES | COc1ccc(F)cc1[C@@H](C)Oc1ccn2ncc(C3=NOC(C)(C)N3)c2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.56 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 8.6 | IC50 | BindingDB |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 8.6 | IC50 | BindingDB |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 8.6 | IC50 | BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 8.6 | IC50 | BindingDB |