Molecule Details
| InChIKey | HHWXKVDESUCOTK-QXAKKESOSA-N |
|---|---|
| Compound Name | 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[4-[(2-oxochromen-7-yl)oxymethyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione |
| Canonical SMILES | Cc1cn([C@H]2C[C@H](n3cc(COc4ccc5ccc(=O)oc5c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.52 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 8.5 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.0 | Ki | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 6.8 | Ki | ChEMBL;BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 6.8 | Ki | ChEMBL;BindingDB |