Molecule Details
| InChIKey | IQNOGQGSOHNMCL-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(3,3-Dimethylbutan-2-ylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione |
| Canonical SMILES | CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 14 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.41 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (14)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.1 | Ki | ChEMBL |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.5 | Ki | ChEMBL |
| P51817 | PRKX | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 6.4 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 6.3 | Ki | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| Q9Y6M4 | CSNK1G3 | Homo sapiens | Human | PF12605 PF00069 | 6.3 | Ki | ChEMBL |
| O00311 | CDC7 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 6.2 | Ki | ChEMBL |
| P78368 | CSNK1G2 | Homo sapiens | Human | PF12605 PF00069 | 6.0 | Ki | ChEMBL |
| Q05513 | PRKCZ | Homo sapiens | Human | PF00130 PF00564 PF00069 PF00433 | 6.0 | Ki | ChEMBL |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 6.0 | Ki | ChEMBL |