Molecule Details
| InChIKey | GXMYCNTVOUYSEA-VWLOTQADSA-N |
|---|---|
| Compound Name | 4-[4-[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[3,2-g]isoquinoline-1-carbonyl]-5-ethylpyrazol-1-yl]benzonitrile |
| Canonical SMILES | CCc1c(C(=O)N2CCc3cc4ccnc(N5CCN6CCC[C@H]6C5)c4cc32)cnn1-c1ccc(C#N)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.7 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile