Molecule Details
| InChIKey | VAVXGGRQQJZYBL-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide |
| Canonical SMILES | O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.47 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60285 | NUAK1 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | ChEMBL;BindingDB |
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q8N884 | CGAS | Homo sapiens | Human | PF03281 PF20266 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q15118 | PDK1 | Homo sapiens | Human | PF10436 PF02518 | 7.2 | IC50 | ChEMBL;BindingDB |
| O75385 | ULK1 | Homo sapiens | Human | PF12063 PF21127 PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q8IYT8 | ULK2 | Homo sapiens | Human | PF12063 PF21127 PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |