Molecule Details
| InChIKey | QUZYEJUYJAWLOF-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[(2,4-Dimethoxyphenyl)methylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione |
| Canonical SMILES | COc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)c(OC)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.12 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.1 | Ki | ChEMBL |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 6.1 | Ki | ChEMBL |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 6.0 | Ki | ChEMBL |