Molecule Details
| InChIKey | SHRNMJSKKQHLKT-OAHLLOKOSA-N |
|---|---|
| Compound Name | (7S)-10-fluorospiro[14-oxa-2,5,12,17,21,22,25-heptazapentacyclo[17.5.2.02,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene-16,1'-cyclopropane]-18-one |
| Canonical SMILES | O=C1NC2(CC2)COc2ncc(F)cc2[C@H]2CNCCN2c2ccn3ncc1c3n2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.49 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 9.7 | IC50 | ChEMBL;BindingDB |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 8.9 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 7.0 | IC50 | ChEMBL;BindingDB |