Molecule Details
| InChIKey | SRGSXTJJXYVFHF-OGWOLHLISA-N |
|---|---|
| Compound Name | [(1R,2S,4R)-2-hydroxy-4-[[5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]cyclopentyl]methyl sulfamate |
| Canonical SMILES | NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccn(Cc3cccc(C(F)(F)F)c3)n2)C[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.17 |
| 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 | 6.2 | IC50 | ChEMBL |
| Q8TBC4 | UBA3 | Homo sapiens | Human | PF08825 PF00899 | 6.2 | IC50 | ChEMBL;BindingDB |