Molecule Details
| InChIKey | XSBZZZGVAIXJLD-YUMQZZPRSA-N |
|---|---|
| Compound Name | (2R)-N-[(2R)-2-(Dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-N-[(5R)-5-(dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-L-prolinamide |
| Canonical SMILES | O=C([C@@H]1CCCN1)N1CCC[C@H]1B(O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.58 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07482 |
|---|---|
| Drug Name | (2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50050521 ChEBI: 41285 CHEMBL63895 ChemSpider: 8373728 PDB: BPR PubChem:10198228 PubChem:99443953 ZINC: ZINC000169748497
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27487 | DPP4 | Homo sapiens | Human | PF00930 PF00326 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q86TI2 | DPP9 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 8.5 | IC50 | BindingDB |
| Q6V1X1 | DPP8 | Homo sapiens | Human | PF19520 PF00930 PF00326 | 7.9 | IC50 | BindingDB |
| Q12884 | FAP | Homo sapiens | Human | PF00930 PF00326 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q9UHL4 | DPP7 | Homo sapiens | Human | PF05577 | 6.7 | IC50 | ChEMBL;BindingDB |
| P48147 | PREP | Homo sapiens | Human | PF00326 PF02897 | 6.4 | IC50 | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P27487 | DPP4 | Dipeptidyl peptidase 4 | binder | targets |