Molecule Details
| InChIKey | NGJZLHHIJBJNNG-RTOPKKFASA-N |
|---|---|
| Compound Name | 5-[(4R,9aS)-8-[2-[6-[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-3-pyridinyl]ethyl]-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]quinoline-8-carbonitrile |
| Canonical SMILES | C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(CCc3ccc(N4C[C@@H](N)[C@@H](F)C4)nc3)CCN21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.98 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile