Molecule Details
| InChIKey | XVLIRDXMQGPGCW-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-(5-cyano-4-(6-fluoro-1H-indol-3-yl)pyrimidin-2-ylamino)-N-ethylpiperidine-1-carboxamide |
| Canonical SMILES | CCNC(=O)N1CCC(Nc2ncc(C#N)c(-c3c[nH]c4cc(F)ccc34)n2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.75 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.4 | pIC50 | TTD_MultiTarget |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |