Molecule Details
| InChIKey | HQDWMIAYEGTBSF-DAJVNYJUSA-N |
|---|---|
| Compound Name | (3R,3aS)-3-{4-[3-(2,3-Difluoro-phenyl)-2-methyl-allyl]-piperazin-1-ylmethyl}-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole |
| Canonical SMILES | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C(C)=C/c4cccc(F)c4F)CC3)[C@@H]1CO2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile