Molecule Details
| InChIKey | PCTRICLZSMFSET-GDBMZVCRSA-N |
|---|---|
| Compound Name | N-{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}-N,3,3-trimethylbutanamide |
| Canonical SMILES | C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)C)CN(c2cc(-c3ccc4c(N)n[nH]c4c3)nc(N)n2)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.19 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 7.2 | pIC50 | TTD_MultiTarget |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |