Molecule Details
| InChIKey | AGIKMOLYLSSZIM-ZESCBINXSA-N |
|---|---|
| Compound Name | [(1R,2R,3S,4R)-4-{[5-(1-benzyl-1H-pyrazole-3-carbonyl)pyrimidin-4-yl]amino}-2,3-dihydroxycyclopentyl]methyl sulfamate |
| Canonical SMILES | NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccn(Cc3ccccc3)n2)[C@H](O)[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.63 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBE0 | SAE1 | Homo sapiens | Human | PF00899 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q9UBT2 | UBA2 | Homo sapiens | Human | PF00899 PF14732 PF16195 | 8.2 | IC50 | ChEMBL |
| Q13564 | NAE1 | Homo sapiens | Human | PF00899 | 7.0 | IC50 | ChEMBL |
| Q8TBC4 | UBA3 | Homo sapiens | Human | PF08825 PF00899 | 7.0 | IC50 | ChEMBL;BindingDB |