Molecule Details
| InChIKey | XMRDIROQMJMYRD-ZDUSSCGKSA-N |
|---|---|
| Compound Name | (2S)-3-[(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)-1H-imidazo[4,5-c]pyridin-7-yl]oxy}propyl)amino]propane-1,2-diol |
| Canonical SMILES | CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCNC[C@H](O)CO)c21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.43 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.5 | IC50 | ChEMBL;BindingDB |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 8.3 | IC50 | ChEMBL;BindingDB |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.6 | IC50 | ChEMBL |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 6.3 | IC50 | ChEMBL |