Molecule Details
| InChIKey | VXKCYKXMVUMKKQ-DEOSSOPVSA-N |
|---|---|
| Compound Name | (3S)-2-[6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]hexanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide |
| Canonical SMILES | CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.01 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile