Molecule Details
| InChIKey | MHWHPWMWKYXCRJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-({2-[(4-Nitrophenyl)amino]pyrimidin-4-yl}amino)benzoic acid |
| Canonical SMILES | O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 32 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (32)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 8.3 | Ki | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 8.0 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.8 | Ki | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.2 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.9 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.9 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.6 | Ki | ChEMBL |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.4 | Ki | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.4 | Ki | ChEMBL |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.4 | Ki | ChEMBL |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.4 | Ki | ChEMBL |
| Q9Y463 | DYRK1B | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 6.3 | Ki | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.2 | Ki | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.1 | Ki | ChEMBL |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.1 | Ki | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.1 | Ki | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.1 | Ki | ChEMBL |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.1 | Ki | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.0 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.0 | Ki | ChEMBL |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |