Molecule Details
| InChIKey | ITLZQNVDXDVBBF-JYJNAYRXSA-N |
|---|---|
| Compound Name | [(2R)-1-[(2S,4S)-4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidin-2-yl]boronic acid |
| Canonical SMILES | O=C1N[C@H](C(=O)N2CCC[C@H]2B(O)O)C[C@H]1CC(=O)N1Cc2ccccc2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.55 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q12884 | FAP | Homo sapiens | Human | PF00930 PF00326 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q9UHL4 | DPP7 | Homo sapiens | Human | PF05577 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q6V1X1 | DPP8 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q86TI2 | DPP9 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 6.3 | IC50 | ChEMBL;BindingDB |
| P27487 | DPP4 | Homo sapiens | Human | PF00930 PF00326 | 6.2 | IC50 | ChEMBL;BindingDB |