Molecule Details
| InChIKey | XEFAKHLQYOJTSO-SJORKVTESA-N |
|---|---|
| Compound Name | 6-((((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)(methyl)amino)nicotinonitrile |
| Canonical SMILES | CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)c1ccc(C#N)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27487 | DPP4 | Homo sapiens | Human | PF00930 PF00326 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q9UHL4 | DPP7 | Homo sapiens | Human | PF05577 | 6.2 | IC50 | ChEMBL;BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q86TI2 | DPP9 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 6.0 | IC50 | ChEMBL;BindingDB |