Molecule Details
| InChIKey | VCCJAEXPICPGMM-QKDODKLFSA-N |
|---|---|
| Compound Name | N-((1S,1aS,6bS)-5-((7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy)-1a,6b-dihydro-1H-cyclopropa[b]benzofuran-1-yl)-4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide |
| Canonical SMILES | O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](NC(=O)c5ccc(CN6CCNCC6)c(C(F)(F)F)c5)[C@H]3O4)ccnc2N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.45 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 9.3 | IC50 | ChEMBL;BindingDB |
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 8.5 | IC50 | ChEMBL;BindingDB |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 7.6 | IC50 | ChEMBL;BindingDB |