Molecule Details
| InChIKey | XELZELDAOXMYOD-MDWZMJQESA-N |
|---|---|
| Compound Name | [(4E)-4-(1-benzothiophen-3-ylmethylidene)-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate |
| Canonical SMILES | CC(C)(C)C(=O)OCC1(CO)C/C(=C\c2csc3ccccc23)C(=O)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.13 |
| 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 | 8.8 | Ki | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 8.1 | Ki | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.5 | Ki | ChEMBL;BindingDB |