Molecule Details
| InChIKey | DYUYWDILKQQYHS-HJIFXQICSA-N |
|---|---|
| Compound Name | 6,6''-(((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(acetyl))bis(3,3-dimethyl-5-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-b]pyridine-1,6-diyl))bis(methylene)) bis(3-chlorobenzonitrile) |
| Canonical SMILES | C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(Cl)cc4C#N)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(Cl)cc7C#N)cc65)CCO4)c3)C2)CN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.18 |
| Source | BindingDB |
2D Structure
Activity Profile