Molecule Details
| InChIKey | PYWCXCBMYMFPTR-KZNAEPCWSA-N |
|---|---|
| Compound Name | (1r,2r,3r)-2-[4-(1,3-Oxazol-5-Yl)phenyl]-N-Oxidanyl-3-Phenyl-Cyclopropane-1-Carboxamide |
| Canonical SMILES | O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(-c2cnco2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.21 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 8.4 | IC50 | ChEMBL |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 7.5 | IC50 | ChEMBL |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 7.4 | IC50 | ChEMBL |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 7.2 | IC50 | ChEMBL;BindingDB |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.4 | IC50 | ChEMBL |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.4 | IC50 | ChEMBL;BindingDB |