Molecule Details
| InChIKey | JPINQKLMVKTGTL-AATRIKPKSA-N |
|---|---|
| Compound Name | (E)-5-(3-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)styryl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile |
| Canonical SMILES | Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(CN3CCN(CCO)CC3)c2)ccc2[nH]ccc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.87 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 8.8 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.4 | pIC50 | TTD_MultiTarget |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 7.4 | IC50 | ChEMBL;BindingDB |