Molecule Details
| InChIKey | VVUPFHUSDJLFEM-CLYVBNDRSA-N |
|---|---|
| Compound Name | [(6S)-2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-[(2R)-4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]methanone |
| Canonical SMILES | CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)CN(C)[C@H](C(=O)N3CCN(CCO)C[C@H]3C)C4)n[nH]c2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 10.02 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 10.5 | Ki | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 10.3 | Ki | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 10.1 | Ki | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.2 | Ki | ChEMBL;BindingDB |