Molecule Details
| InChIKey | SGEHBQYHDGXTNO-AJHUUBBASA-N |
|---|---|
| Compound Name | [(3R,5R,8S,9S,10S,13R,14S,17S)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
| Canonical SMILES | C[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q14957 | GRIN2C | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.4 | IC50 | ChEMBL |
| O15399 | GRIN2D | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.3 | IC50 | ChEMBL |
| Q05586 | GRIN1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q12879 | GRIN2A | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q13224 | GRIN2B | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 6.2 | IC50 | ChEMBL |