Molecule Details
| InChIKey | PDCDZONDWCMMEQ-WEIIIVGSSA-N |
|---|---|
| Compound Name | 1,1''-(2,2''-((3R,3''R,6R,6''R)-(((2S,2''S)-((((1,4-phenylenebis(propane-2,2-diyl))bis(4,1-phenylene))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-dimethyl-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-b]pyridin-5-one) |
| Canonical SMILES | C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3ccc(C(C)(C)c4ccc(C(C)(C)c5ccc(OC[C@@H]6CN(C[C@H]7CN[C@H](C)CN7CC(=O)N7CC(C)(C)c8[nH]c(=O)c(Cc9ccc(F)cc9)cc87)CCO6)cc5)cc4)cc3)C2)CN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.55 |
| Source | BindingDB |
2D Structure
Activity Profile