Molecule Details
| InChIKey | XBKUBIGECMBITH-MHWRWJLKSA-N |
|---|---|
| Compound Name | [(4E)-2-(hydroxymethyl)-4-[(1-methylindol-3-yl)methylidene]-5-oxooxolan-2-yl]methyl 4-chlorobenzoate |
| Canonical SMILES | Cn1cc(/C=C2\CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)c2ccccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8IV61 | RASGRP3 | Homo sapiens | Human | PF00130 PF13499 PF00617 | 8.0 | Ki | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.8 | Ki | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.7 | Ki | ChEMBL;BindingDB |