Molecule Details
| InChIKey | HQNCLEFIYXURJH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(4-Cyanophenylcarboxamido)-1,1-dimethyl-4-phenylpentanoic anhydride |
| Canonical SMILES | CC(C)(C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(C#N)cc1)C(CCc1ccccc1)NC(=O)c1ccc(C#N)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.66 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08311 | CTSG | Homo sapiens | Human | PF00089 | 8.8 | IC50 | ChEMBL;BindingDB |
| P17538 | CTRB1 | Homo sapiens | Human | PF00089 | 8.7 | IC50 | ChEMBL;BindingDB |
| P23946 | CMA1 | Homo sapiens | Human | PF00089 | 6.6 | IC50 | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.5 | IC50 | ChEMBL;BindingDB |