Molecule Details
| InChIKey | RHGZQGXELRMGES-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(Ethyl((5-((6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)amino)isothiazol-3-yl)methyl)amino)-2-methylpropan-1-ol |
| Canonical SMILES | CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.88 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 8.7 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.7 | pIC50 | TTD_MultiTarget |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 8.1 | IC50 | ChEMBL;BindingDB |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| P54760 | EPHB4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.0 | IC50 | ChEMBL;BindingDB |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.7 | IC50 | ChEMBL;BindingDB |