Molecule Details
| InChIKey | XHHRGYCOEVNAKV-UHFFFAOYSA-N |
|---|---|
| Compound Name | rac-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile hydrochloride |
| Canonical SMILES | Cc1cc(Nc2cc(C)c(C#N)c(NC(C)CCCC(C)(C)O)n2)n[nH]1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.93 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 8.9 | Ki | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 8.9 | pIC50 | TTD_MultiTarget |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.6 | Ki | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.6 | Ki | ChEMBL;BindingDB |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | Ki | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL;BindingDB |