Molecule Details
| InChIKey | NEGWJHQAWQAHOF-YCPHGPKFSA-N |
|---|---|
| Compound Name | (2S)-1-{[(2S,5R)-5-(2-chloro-4-cyanophenoxymethyl)pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile |
| Canonical SMILES | N#Cc1ccc(OC[C@H]2CC[C@@H](C(=O)N3CCC[C@H]3C#N)N2)c(Cl)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.39 |
| 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 | 9.2 | Ki | ChEMBL;BindingDB |
| Q86TI2 | DPP9 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 7.4 | Ki | ChEMBL |
| P48147 | PREP | Homo sapiens | Human | PF00326 PF02897 | 7.4 | Ki | ChEMBL |
| Q6V1X1 | DPP8 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 6.6 | Ki | ChEMBL |
| Q12884 | FAP | Homo sapiens | Human | PF00930 PF00326 | 6.3 | Ki | ChEMBL |