Molecule Details
| InChIKey | DHXSMGUKIICGAC-TVQRCGJNSA-N |
|---|---|
| Compound Name | (2S,3S)-2-(3-bromophenyl)-3,5,5-trimethylmorpholin-2-ol |
| Canonical SMILES | C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 7.4 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.4 | IC50 | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.4 | IC50 | ChEMBL;BindingDB |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | IC50 | ChEMBL |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 6.3 | IC50 | ChEMBL;BindingDB |