Molecule Details
| InChIKey | LHTOPXIXDAUXST-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-(5-(5-Oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)pyridin-3-yl)-4-((1-phenylethyl)amino)quinoline-3-carbonitrile |
| Canonical SMILES | CC(Nc1c(C#N)cnc2ccc(-c3cncc(-c4n[nH]c(=O)o4)c3)cc12)c1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.63 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 8.0 | IC50 | ChEMBL;BindingDB |
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 8.0 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 7.0 | IC50 | ChEMBL;BindingDB |