Molecule Details
| InChIKey | YLGULXRNPXJXHL-KPTSAVOPSA-N |
|---|---|
| Compound Name | US10889555, Example 167 |
| Canonical SMILES | CC(=O)OC1(C)CCOc2c(S(=O)(=O)N[C@H](c3n[nH]c(=O)o3)[C@H](C)c3c(F)ccc(Br)c3C)ccc(Cl)c21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.1 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL |
| P23921 | RRM1 | Homo sapiens | Human | PF03477 PF02867 PF00317 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q7LG56 | RRM2B | Homo sapiens | Human | PF00268 | 7.1 | IC50 | ChEMBL |