Molecule Details
| InChIKey | JTGMDPHLGBACAV-YJYMSZOUSA-N |
|---|---|
| Compound Name | (2S,5R)-4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-N-phenyl-2-morpholinecarboxamide |
| Canonical SMILES | C[C@@H]1CO[C@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.66 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.8 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.7 | IC50 | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.7 | pIC50 | TTD_MultiTarget |
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |