Molecule Details
| InChIKey | NDIUYMHNCUTVGE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(Tert-butylamino)-4-[[2-(4-pyridin-4-ylanilino)pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione |
| Canonical SMILES | CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 25 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.07 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (25)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 8.7 | Ki | ChEMBL;BindingDB |
| Q9NYY3 | PLK2 | Homo sapiens | Human | PF00069 PF00659 | 8.7 | Ki | ChEMBL;BindingDB |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 8.3 | Ki | ChEMBL;BindingDB |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 8.2 | Ki | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 8.1 | Ki | ChEMBL;BindingDB |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.8 | Ki | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.7 | Ki | ChEMBL;BindingDB |
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 7.2 | Ki | ChEMBL;BindingDB |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 7.1 | Ki | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.0 | Ki | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL;BindingDB |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL;BindingDB |
| Q13563 | PKD2 | Homo sapiens | Human | PF18109 PF08016 PF20519 | 6.8 | Ki | BindingDB |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.8 | Ki | ChEMBL |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.7 | Ki | ChEMBL;BindingDB |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.7 | Ki | ChEMBL;BindingDB |
| O00141 | SGK1 | Homo sapiens | Human | PF00069 PF00433 | 6.6 | Ki | ChEMBL;BindingDB |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL;BindingDB |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Ki | ChEMBL;BindingDB |
| Q9Y478 | PRKAB1 | Homo sapiens | Human | PF16561 PF04739 | 6.5 | Ki | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.4 | Ki | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.3 | Ki | ChEMBL;BindingDB |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.2 | Ki | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.0 | Ki | ChEMBL;BindingDB |