Molecule Details
| InChIKey | UELSMLDRSQFVHG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8-[3-(pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,8-diazaspiro[5.5]undecane |
| Canonical SMILES | c1cc(-c2c[nH]c3nccc(N4CCCC5(CCCCN5)C4)c23)ncn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 10.8 | Ki | ChEMBL;BindingDB |
| Q9Y5S2 | CDC42BPB | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 | 10.4 | Ki | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.9 | Ki | ChEMBL;BindingDB |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.4 | Ki | ChEMBL;BindingDB |