Molecule Details
| InChIKey | MENIKIFJGYYVNI-UHFFFAOYSA-N |
|---|---|
| Compound Name | N,N-dimethyl-1-(3-(4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl)methanamine |
| Canonical SMILES | CN(C)Cc1cccc(-c2cc3c(-c4cnn(C)c4)ccnc3[nH]2)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.3 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9NQS7 | INCENP | Homo sapiens | Human | PF03941 PF12178 | 8.2 | IC50 | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.9 | pIC50 | TTD_MultiTarget |
| Q9ULW0 | TPX2 | Homo sapiens | Human | PF09041 PF06886 PF12214 | 6.9 | IC50 | ChEMBL |