Molecule Details
| InChIKey | XKNDLPMAXNMALL-IBGZPJMESA-N |
|---|---|
| Compound Name | (S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine |
| Canonical SMILES | Cc1nc(-c2ccoc2)c(-c2cnc3[nH]nc(C)c3n2)cc1OC[C@@H](N)Cc1c[nH]c2ccccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.0 | IC50 | ChEMBL;BindingDB |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 7.2 | IC50 | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL;BindingDB |