Molecule Details
| InChIKey | XQSCLQLQGFXSLK-JMSAZLJDSA-N |
|---|---|
| Compound Name | 3-[2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-(3-pyridin-3-yl-acryloylamino)-hexanoylamino]-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate |
| Canonical SMILES | CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)/C=C/c1cccnc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.06 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile