Molecule Details
| InChIKey | BOPGBYFJKNADGK-VWNXMTODSA-N |
|---|---|
| Compound Name | (R)-4-Oxo-1-[4-(6-phenyl-hexanoyl)-piperazine-1-carbonyl]-3-piperidin-4-ylmethyl-azetidine-2-carboxylic acid |
| Canonical SMILES | O=C(O)[C@@H]1[C@@H](CC2CCNCC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2ccccc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.09 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20231 | TPSB2 | Homo sapiens | Human | PF00089 | 9.0 | IC50 | BindingDB |
| Q15661 | TPSAB1 | Homo sapiens | Human | PF00089 | 9.0 | IC50 | ChEMBL |
| Q9BZJ3 | TPSD1 | Homo sapiens | Human | PF00089 | 9.0 | IC50 | ChEMBL |
| Q9NRR2 | TPSG1 | Homo sapiens | Human | PF00089 | 9.0 | IC50 | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.5 | IC50 | ChEMBL;BindingDB |
| P00749 | PLAU | Homo sapiens | Human | PF00051 PF00089 | 6.0 | IC50 | ChEMBL;BindingDB |