Molecule Details
| InChIKey | VGEDWONGQUXJQA-WDEREUQCSA-N |
|---|---|
| Compound Name | (3R,11S)-6-fluoro-3,11-dimethyl-10,13-dioxa-2,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one |
| Canonical SMILES | C[C@H]1COC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.36 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 9.6 | IC50 | BindingDB |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 9.5 | IC50 | BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 9.3 | IC50 | BindingDB |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 9.2 | IC50 | BindingDB |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 7.3 | IC50 | BindingDB |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 7.1 | IC50 | BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | IC50 | BindingDB |