Molecule Details
| InChIKey | LOCWELCIOZHZHE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-[(2,4-dichlorophenyl)methylamino]-4-(1H-indazol-5-ylamino)cyclobut-3-ene-1,2-dione |
| Canonical SMILES | O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3[nH]ncc3c2)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.25 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 8.5 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.9 | Ki | ChEMBL |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 7.8 | Ki | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 7.4 | Ki | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 7.4 | Ki | ChEMBL |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.0 | Ki | ChEMBL |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 7.0 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.8 | Ki | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.4 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |