Molecule Details
| InChIKey | DYSZJGFBTWPUEV-RYRKJORJSA-N |
|---|---|
| Compound Name | 4-{[(2R,5S)-5-{[(2S)-2-cyanopyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}-3-(propan-2-yl)benzoic acid |
| Canonical SMILES | CC(C)c1cc(C(=O)O)ccc1OC[C@H]1CC[C@@H](C(=O)N2CCC[C@H]2C#N)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.06 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27487 | DPP4 | Homo sapiens | Human | PF00930 PF00326 | 8.6 | Ki | ChEMBL;BindingDB |
| Q86TI2 | DPP9 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 7.2 | Ki | ChEMBL |
| Q6V1X1 | DPP8 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 6.8 | Ki | ChEMBL |
| P48147 | PREP | Homo sapiens | Human | PF00326 PF02897 | 6.6 | Ki | ChEMBL |
| Q12884 | FAP | Homo sapiens | Human | PF00930 PF00326 | 6.0 | Ki | ChEMBL |