Molecule Details
| InChIKey | PUIKISPVMMUIMT-JMXWTWJISA-N |
|---|---|
| Compound Name | [(1R,6R,13R,14R,15S)-13-butanoyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5,8-dioxo-14-tetracyclo[8.5.0.02,6.011,13]pentadec-3-enyl] 2-(methylamino)benzoate |
| Canonical SMILES | CCCC(=O)O[C@@]12C(C3CC(=O)C[C@]4(O)C(=O)C(C)=CC4[C@]3(O)[C@@H](C)[C@H]1OC(=O)c1ccccc1NC)C2(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.43 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 9.8 | Ki | BindingDB |
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 8.2 | Ki | BindingDB |
| Q9Y5S2 | CDC42BPB | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 | 7.9 | Ki | BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.7 | Ki | BindingDB |