Molecule Details
| InChIKey | XWFYCUBZTUUOJK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-Ethyl-8-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one |
| Canonical SMILES | CCN1C(=O)COc2c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.93 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 9.9 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 9.7 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 7.7 | Ki | ChEMBL;BindingDB |