Molecule Details
| InChIKey | WYOQVEKRHFYOBI-QBRWDTAQSA-N |
|---|---|
| Compound Name | 2,2''-((3R,3''R,6R,6''R)-(((2S,2''S)-((1,3-phenylenebis(oxy))bis (methylene))bis (morpholine-2,4-diyl))bis(methylene)) bis(3-methylpiperazine-6,1-diyl))bis(1-(3,3-dimethyl-6-(4-methylbenzyl)-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)ethan-1-one) |
| Canonical SMILES | Cc1ccc(Cc2cnc3c(c2)N(C(=O)CN2C[C@@H](C)NC[C@@H]2CN2CCO[C@H](COc4cccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7ncc(Cc8ccc(C)cc8)cc76)CCO5)c4)C2)CC3(C)C)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.18 |
| Source | BindingDB |
2D Structure
Activity Profile