Molecule Details
| InChIKey | JAXUEOKMIODUOS-JTSJOTPCSA-N |
|---|---|
| Compound Name | methyl N-[3-[(2S)-1-[(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-(3,4-dimethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-propan-2-ylsulfonylphenyl]carbamate |
| Canonical SMILES | COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(OC)c(OC)c2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.15 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile