Molecule Details
| InChIKey | XNELIBGPKZNEOG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-chloro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide |
| Canonical SMILES | O=C(CCCl)Nc1ccc2c(c1)C(=O)C(=O)NC2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 7.1 | IC50 | ChEMBL;BindingDB |
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 6.9 | IC50 | ChEMBL;BindingDB |
| P55212 | CASP6 | Homo sapiens | Human | PF00656 | 6.5 | IC50 | ChEMBL;BindingDB |
| P42575 | CASP2 | Homo sapiens | Human | PF00619 PF00656 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q14790 | CASP8 | Homo sapiens | Human | PF01335 PF00656 | 6.2 | IC50 | ChEMBL;BindingDB |