Molecule Details
| InChIKey | XJPPJJAODBUHAJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 7-fluoro-6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one |
| Canonical SMILES | Cc1ccc2c(OCCN3CCC(Cc4cc5c(cc4F)OCC(=O)N5)CC3)cccc2n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.5 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 9.3 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |