Molecule Details
| InChIKey | DDBJOZVQHUZKJJ-CPNJWEJPSA-N |
|---|---|
| Compound Name | [(4E)-2-(hydroxymethyl)-4-[(1-methylindol-4-yl)methylidene]-5-oxooxolan-2-yl]methyl 2-propylpentanoate |
| Canonical SMILES | CCCC(CCC)C(=O)OCC1(CO)C/C(=C\c2cccc3c2ccn3C)C(=O)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O95267 | RASGRP1 | Homo sapiens | Human | PF00130 PF00617 PF00618 | 8.8 | Ki | ChEMBL;BindingDB |
| Q8IV61 | RASGRP3 | Homo sapiens | Human | PF00130 PF13499 PF00617 | 8.8 | Ki | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.8 | Ki | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 7.7 | Ki | ChEMBL;BindingDB |