Molecule Details
| InChIKey | JENHDSSQMZYJBU-DUMMGLOSSA-N |
|---|---|
| Compound Name | (2S,2''S)-N,N''-(1,4-phenylenebis(methylene)) bis(4-(((2R,5R)-1-(2-(6-(4-chloro-2-methylbenzyl)-3,3-dimethyl-5-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-b]pyridin-1-yl)-2-oxoethyl)-5-methylpiperazin-2-yl)methyl)morpholine-2-carboxamide) |
| Canonical SMILES | Cc1cc(Cl)ccc1Cc1cc2c([nH]c1=O)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCO[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(Cl)cc6C)cc54)CCO3)cc2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.03 |
| Source | BindingDB |
2D Structure
Activity Profile