Molecule Details
| InChIKey | BERNHFOYDVXQGI-ZXLOHXMUSA-N |
|---|---|
| Compound Name | 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-hydroxy-phenyl)-acryloylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-N-methyl-succinamic acid.AcOH; hydrate |
| Canonical SMILES | CN(C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)/C=C/c1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(N)=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.15 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile