Molecule Details
| InChIKey | RLAJOHAIIACFAM-ZZXKWVIFSA-N |
|---|---|
| Compound Name | Pyrrolo-pyrimidone, 17 |
| Canonical SMILES | CN(C)CCOc1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.63 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8IW41 | MAPKAPK5 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P49137 | MAPKAPK2 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.8 | pIC50 | TTD_MultiTarget |
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.7 | pIC50 | TTD_MultiTarget |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.7 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.6 | pIC50 | TTD_MultiTarget |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| P06729 | CD2 | Homo sapiens | Human | PF05790 PF07686 | 6.5 | pIC50 | TTD_MultiTarget |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.0 | IC50 | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |