Molecule Details
| InChIKey | LICYULLQPIZDET-MSOLQXFVSA-N |
|---|---|
| Compound Name | 4-((2S,3R)-2-Carboxy-4-oxo-3-piperidin-4-ylmethyl-azetidine-1-carbonyl)-piperazine-1-carboxylic acid 1-isopropyl-2-methyl-propyl ester |
| Canonical SMILES | CC(C)C(OC(=O)N1CCN(C(=O)N2C(=O)[C@H](CC3CCNCC3)[C@H]2C(=O)O)CC1)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.24 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P20231 | TPSB2 | Homo sapiens | Human | PF00089 | 7.5 | IC50 | BindingDB |
| Q15661 | TPSAB1 | Homo sapiens | Human | PF00089 | 7.5 | IC50 | ChEMBL |
| Q9BZJ3 | TPSD1 | Homo sapiens | Human | PF00089 | 7.5 | IC50 | ChEMBL |
| Q9NRR2 | TPSG1 | Homo sapiens | Human | PF00089 | 7.5 | IC50 | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.0 | IC50 | ChEMBL;BindingDB |