Molecule Details
| InChIKey | XONRTPBYDAFIRW-NRFANRHFSA-N |
|---|---|
| Compound Name | (2s)-1-{[6-Furan-3-Yl-5-(3-Methyl-2h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-(1h-Indol-3-Yl)propan-2-Amine |
| Canonical SMILES | Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.64 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 9.0 | IC50 | ChEMBL;BindingDB |
| Q9Y243 | AKT3 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 9.0 | IC50 | ChEMBL;BindingDB |
| P23443 | RPS6KB1 | Homo sapiens | Human | PF00069 PF00433 | 8.2 | IC50 | ChEMBL;BindingDB |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q13153 | PAK1 | Homo sapiens | Human | PF00786 PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q15118 | PDK1 | Homo sapiens | Human | PF10436 PF02518 | 7.3 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.3 | IC50 | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |