Molecule Details
| InChIKey | PXBLDMNLSVHTHI-QXOCEMHNSA-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-(6-(4-fluoro-2-methoxybenzyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-1-yl)ethan-1-one) |
| Canonical SMILES | COc1cc(F)ccc1Cc1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7ccc(F)cc7OC)cc65)CCO4)c3)C1)CC2(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.28 |
| Source | BindingDB |
2D Structure
Activity Profile