Molecule Details
| InChIKey | PLVWMBFPIAQRHK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Calpain Inhibitor XII |
| Canonical SMILES | CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.26 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 9.2 | Ki | ChEMBL |
| P07384 | CAPN1 | Homo sapiens | Human | PF01067 PF13833 PF00648 | 7.7 | Ki | ChEMBL;BindingDB |
| P17655 | CAPN2 | Homo sapiens | Human | PF01067 PF13833 PF00648 | 6.9 | Ki | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.1 | Ki | ChEMBL;BindingDB |
| P0DTD1 | rep | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 6.3 | IC50 | BindingDB |