Molecule Details
| InChIKey | ZFUGTFLRENMBAG-HYTWXIRXSA-N |
|---|---|
| Compound Name | Neuroprotectin A |
| Canonical SMILES | CN1C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]2NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)CC3C(=O)Nc4cc(ccc43)-c3cc2cc(c3O)Oc2ccc(cc2)C[C@H]1C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.14 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q6GI75 | fabI | Staphylococcus aureus (strain MRSA252) | Pathogen | PF13561 | 6.2 | IC50 | ChEMBL |
| Q76353 | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 6.1 | IC50 | BindingDB | |
| Q7ZJM1 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 6.1 | IC50 | ChEMBL |