Molecule Details
| InChIKey | HPKJGHVHQWJOOT-ZJOUEHCJSA-N |
|---|---|
| Canonical SMILES | O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.48 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21501 |
|---|---|
| Drug Name | Bofutrelvir |
| CAS Number | 2103278-86-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Bofutrelvir is a small molecule drug. The usage of the INN stem '-trelvir' in the name indicates that Bofutrelvir is a antiviral 3CL protease inhibitor. Bofutrelvir has a monoisotopic molecular weight of 452.24 Da. |
Cross-references: BindingDB: 420296 ChEBI: 152560 CHEMBL4796938 PDB: FHR
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 9.7 | IC50 | 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 | 7.3 | IC50 | ChEMBL;BindingDB |