Molecule Details
| InChIKey | QEDKPWFZXOCKMT-LJQANCHMSA-N |
|---|---|
| Compound Name | 8-[3-[(2R)-4-(7-fluoro-2-methylquinolin-5-yl)-2-methylpiperazin-1-yl]propyl]-4-methyl-1,4-benzoxazin-3-one |
| Canonical SMILES | Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cc(F)cc2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.27 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 9.1 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |