Molecule Details
| InChIKey | JGCCAYOIBQEXKQ-SFTDATJTSA-N |
|---|---|
| Compound Name | (2S)-1-[(2S)-2-amino-3-[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]propanoyl]pyrrolidine-2-carbonitrile |
| Canonical SMILES | N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.79 |
| 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 |
| Q6V1X1 | DPP8 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q86TI2 | DPP9 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q9UHL4 | DPP7 | Homo sapiens | Human | PF05577 | 6.0 | IC50 | ChEMBL |