Molecule Details
| InChIKey | PFNLTXPEWXUGPM-UHFFFAOYSA-N |
|---|---|
| Compound Name | ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzoate |
| Canonical SMILES | CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P01375 | TNF | Homo sapiens | Human | PF00229 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q9Y239 | NOD1 | Homo sapiens | Human | PF00619 PF13516 PF05729 PF17776 PF17779 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q9HC29 | NOD2 | Homo sapiens | Human | PF00619 PF13516 PF05729 PF17776 PF17779 | 6.4 | IC50 | ChEMBL;BindingDB |