Molecule Details
| InChIKey | GCLXTMQLKUHAJX-MEBDUZIESA-N |
|---|---|
| Compound Name | 1,1''-(2,2''-((3R,3''R,6R,6''R)-(((2S,2''S)-(((1,4-phenylenebis (methylene))bis (oxy))bis (methylene))bis (morpholine-2,4-diyl))bis(methylene)) bis(3-methylpiperazine-6,1-diyl))bis(acetyl))bis(6-(4-fluorobenzyl)-3,3,4-trimethyl-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-b]pyridin-5-one) |
| Canonical SMILES | C[C@@H]1CN(CC(=O)N2CC(C)(C)c3c2cc(Cc2ccc(F)cc2)c(=O)n3C)[C@@H](CN2CCO[C@H](COCc3ccc(COC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6c5cc(Cc5ccc(F)cc5)c(=O)n6C)CCO4)cc3)C2)CN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.18 |
| Source | BindingDB |
2D Structure
Activity Profile