Molecule Details
| InChIKey | CJDAPCDGESTEPR-XCZPVHLTSA-N |
|---|---|
| Compound Name | N-[(1S)-2-[[(2S)-1-[[(4-chlorophenyl)methyl-cyanoamino]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]thiophene-2-carboxamide |
| Canonical SMILES | CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cccs1)C1CCCCC1)N(C#N)Cc1ccc(Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.94 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 8.2 | Ki | ChEMBL |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 8.1 | Ki | ChEMBL |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.6 | Ki | ChEMBL |
| 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 | 7.8 | IC50 | ChEMBL |