Molecule Details
| InChIKey | ZPBRNDUJNKMEMH-LYGDGENHSA-N |
|---|---|
| Compound Name | [3a(4)Z,10R]-20-chloro-10,15-dimethyl-10,11,13,15-tetrahydro-2H-1,17-(ethanediylidene)pyrazolo[4,3-m]dipyrrolo[3,2-f:3'',4''-i][1,4]oxazacyclopentadecine-3,8(5H,9H)-dione |
| Canonical SMILES | C[C@@H]1COCc2nn(C)cc2-c2cc(Cl)c3c(c2)/C(=C/c2[nH]ccc2C(=O)N1)C(=O)N3 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.83 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.7 | Kd | BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.5 | Kd | BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.2 | Kd | BindingDB |