Molecule Details
| InChIKey | MPCQRPKDRXWSSR-OAQYLSRUSA-N |
|---|---|
| Compound Name | Pyrimidylpyrrole, 11l |
| Canonical SMILES | Cc1cnc(Nc2cccc3c2OCCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.5 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 8.0 | Ki | ChEMBL;BindingDB |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 7.8 | Ki | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.3 | Ki | BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.9 | pIC50 | TTD_MultiTarget |