Molecule Details
| InChIKey | FTIFIZZEWIBTMR-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)c(F)c3)c2=O)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.85 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21596 |
|---|---|
| Drug Name | Abimtrelvir |
| CAS Number | 2647530-75-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Abimtrelvir is a small molecule drug. The usage of the INN stem '-trelvir' in the name indicates that Abimtrelvir is a antiviral 3CL protease inhibitor. Abimtrelvir has a monoisotopic molecular weight of 527.11 Da. |
Cross-references: BindingDB: 50594590 CHEMBL5187177
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0DTC1 | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF16251 PF11501 PF12379 PF12124 PF11633 PF09401 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF01661 PF05409 | 7.8 | 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 | 7.8 | IC50 | ChEMBL;BindingDB |