Molecule Details
| InChIKey | LGIBDQRYOFBMTC-UHFFFAOYSA-N |
|---|---|
| Compound Name | Atropisomer 1 |
| Canonical SMILES | O=C1Nc2ccccc2-c2ccnc3[nH]cc(c23)C1c1ccc(O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.42 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 12.0 | pIC50 | TTD_MultiTarget |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.8 | Ki | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 7.8 | Ki | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.7 | Ki | ChEMBL;BindingDB |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.5 | Ki | ChEMBL;BindingDB |