Molecule Details
| InChIKey | FGVBXWYMYMNXGE-GDBMZVCRSA-N |
|---|---|
| Compound Name | 1,1-Dimethylethyl{(3R,5R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}methylcarbamate |
| Canonical SMILES | CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@H](C)C[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.11 |
| 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 | 8.1 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.9 | pIC50 | TTD_MultiTarget |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |