Molecule Details
| InChIKey | XQLINAVACFUFEH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-N-(4-methylpiperidin-1-yl)piperidine-1-carboxamide |
| Canonical SMILES | CC1CCN(NC(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.99 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.3 | pIC50 | TTD_MultiTarget |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL;BindingDB |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P05412 | JUN | Homo sapiens | Human | PF00170 PF03957 | 6.1 | IC50 | ChEMBL;BindingDB |