Molecule Details
| InChIKey | KJMALBRUCRDMTE-JTQLQIEISA-N |
|---|---|
| Compound Name | (S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-methyl-1H-pyrazol-3-ylamino)pyrazine-2-carbonitrile |
| Canonical SMILES | Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ccc(F)cn3)n2)n[nH]1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.57 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.5 | IC50 | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 8.5 | pIC50 | TTD_MultiTarget |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 8.5 | pIC50 | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL;BindingDB |