Molecule Details
| InChIKey | BSPZFJDYQHDZNR-ASPXRTSYSA-N |
|---|---|
| Compound Name | GC-376 free acid |
| Canonical SMILES | CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.83 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15796 |
|---|---|
| Drug Name | GC-376 free acid |
| CAS Number | 1417031-79-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | GC-376 is a 3C-like protease (3CL<sup>pro</sup> or M<sup>pro</sup>) inhibitor that stops the cleavage and activation of functional viral proteins required for replication and transcription in host cells[A219036]. The compound is known as a direct acting antiviral (DAA) for coronaviruses, and was ini... |
Categories: Acids Acids, Noncarboxylic Alkalies Amides Amino Acids Amino Acids, Branched-Chain Amino Acids, Essential Amino Acids, Peptides, and Proteins Anions Carbon Compounds, Inorganic Carbonic Acid Electrolytes Enzyme Inhibitors Experimental Unapproved Treatments for COVID-19 Ions Protease Inhibitors Sulfur Acids Sulfur Compounds
Cross-references: CHEMBL2365410 ChemSpider: 29399539
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 9.1 | IC50 | ChEMBL |
| P07384 | CAPN1 | Homo sapiens | Human | PF01067 PF13833 PF00648 | 7.8 | IC50 | ChEMBL |
| P0C6X1 | rep | Human coronavirus 229E | Pathogen | PF13087 PF13604 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19212 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 7.7 | IC50 | ChEMBL |
| P0C6U8 | Severe acute respiratory syndrome coronavirus | Pathogen | PF16251 PF11501 PF12379 PF12124 PF11633 PF09401 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF01661 PF05409 | 6.8 | IC50 | ChEMBL |