Molecule Details
| InChIKey | BSOFNSGMVOMVLM-MWXPQOEXSA-N |
|---|---|
| Compound Name | (3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-3-yl-but-2-enyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole |
| Canonical SMILES | COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C(\C)c4ccsc4)CC3)[C@@H]1CO2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.9 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile