Molecule Details
| InChIKey | MQDDTALXSBQTQP-DTXPUJKBSA-N |
|---|---|
| Compound Name | (4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide |
| Canonical SMILES | C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.64 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14091 | CTSE | Homo sapiens | Human | PF07966 PF00026 | 9.3 | Ki | ChEMBL;BindingDB |
| P00797 | REN | Homo sapiens | Human | PF07966 PF00026 | 9.2 | IC50 | ChEMBL;BindingDB |
| P20142 | PGC | Homo sapiens | Human | PF07966 PF00026 | 9.1 | Ki | ChEMBL;BindingDB |
| P0DJD9 | PGA5 | Homo sapiens | Human | PF07966 PF00026 | 8.0 | Ki | ChEMBL;BindingDB |
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 7.7 | Ki | ChEMBL;BindingDB |