Molecule Details
| InChIKey | HKIARJIHQHADQP-MHPKPXDFSA-N |
|---|---|
| Compound Name | [(1R,2S,4R)-4-[[5-[4-(7-chloro-3,4-dihydro-1H-isochromen-1-yl)-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate |
| Canonical SMILES | Cc1sc(C(=O)c2cncnc2N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)C2)cc1C1OCCc2ccc(Cl)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBE0 | SAE1 | Homo sapiens | Human | PF00899 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q9UBT2 | UBA2 | Homo sapiens | Human | PF00899 PF14732 PF16195 | 8.5 | IC50 | ChEMBL |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.0 | IC50 | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q13564 | NAE1 | Homo sapiens | Human | PF00899 | 6.7 | IC50 | ChEMBL |
| Q8TBC4 | UBA3 | Homo sapiens | Human | PF08825 PF00899 | 6.4 | IC50 | ChEMBL;BindingDB |