Molecule Details
| InChIKey | WGNWEPPRWQKSKI-AIEDFZFUSA-N |
|---|---|
| Compound Name | Ibuzatrelvir |
| Canonical SMILES | COC(=O)N[C@H](C(=O)N1C[C@H](C(F)(F)F)C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.92 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19451 |
|---|---|
| Drug Name | Ibuzatrelvir |
| CAS Number | 2755812-39-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ibuzatrelvir is under investigation in clinical trial NCT06679140 (A Study to Learn About a Study Medicine Called Ibuzatrelvir in Adult and Adolescent Patients With COVID-19 Who Are Not Hospitalized but Are at Risk for Severe Disease). |
Cross-references: BindingDB: 50645473 CHEMBL5591580
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 7.7 | IC50 | ChEMBL |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 7.5 | IC50 | 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 | 8.6 | Ki | ChEMBL |