Molecule Details
| InChIKey | AQMLUIURUPLBCR-ZPGBJXAKSA-N |
|---|---|
| Compound Name | (S)-2-[(S)-3-Isobutyl-2,5-dioxo-4-((E)-3-pyridin-4-yl-allyl)-[1,4]diazepan-1-yl]-N-methyl-3-naphthalen-2-yl-propionamide |
| Canonical SMILES | CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(C/C=C/c2ccncc2)[C@@H](CC(C)C)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.62 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P05107 | ITGB2 | Homo sapiens | Human | PF23105 PF08725 PF07965 PF00362 PF17205 | 7.6 | IC50 | ChEMBL |
| P05362 | ICAM1 | Homo sapiens | Human | PF21146 PF03921 PF13895 | 7.6 | IC50 | ChEMBL |
| P20701 | ITGAL | Homo sapiens | Human | PF01839 PF08441 PF20805 PF00357 PF00092 | 7.6 | IC50 | ChEMBL |