Molecule Details
| InChIKey | WAKGEHXTOOFEAE-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione |
| Canonical SMILES | O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 27 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.11 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (27)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 9.4 | IC50 | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 9.3 | IC50 | ChEMBL;BindingDB |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 9.3 | IC50 | ChEMBL;BindingDB |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 9.2 | IC50 | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 9.1 | IC50 | ChEMBL;BindingDB |
| P24723 | PRKCH | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 9.0 | IC50 | ChEMBL;BindingDB |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 7.5 | Ki | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.4 | Ki | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 7.3 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 7.0 | Ki | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.7 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.7 | Ki | ChEMBL |
| P34947 | GRK5 | Homo sapiens | Human | PF00069 PF00615 | 6.6 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.5 | Ki | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.4 | Ki | ChEMBL |
| P27448 | MARK3 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.4 | Ki | ChEMBL |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.4 | Ki | ChEMBL |
| Q9UQM7 | CAMK2A | Homo sapiens | Human | PF08332 PF00069 | 6.3 | Ki | ChEMBL |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 6.1 | Ki | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.1 | Ki | ChEMBL |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.0 | Ki | ChEMBL |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 6.0 | Ki | ChEMBL |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |