Molecule Details
| InChIKey | NETTVHMSXGRAJR-IPYPFGDCSA-N |
|---|---|
| Compound Name | WO2022043374, Example 72 |
| Canonical SMILES | Cc1cc(C(=O)N[C@@H](CC2CCC2)C(=O)NN(C[C@H]2CCNC2=O)C(=O)[C@H](F)Cl)no1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.33 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0C6X6 | rep | Human coronavirus OC43 | Pathogen | PF13087 PF13604 PF11963 PF16251 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF22104 PF01831 PF05409 PF00680 | 7.9 | IC50 | BindingDB |
| A0A1L2E0X0 | orf1a | Middle East respiratory syndrome-related coronavirus | Pathogen | PF16251 PF11501 PF11633 PF09401 PF19212 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF01661 PF05409 | 6.8 | IC50 | BindingDB |