Molecule Details
| InChIKey | RXBWRFDZXRAEJT-SZNOJMITSA-N |
|---|---|
| Compound Name | Palinavir |
| Canonical SMILES | CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H](OCc2ccncc2)C[C@H]1C(=O)NC(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.46 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB20083 |
|---|---|
| Drug Name | Palinavir |
| CAS Number | 154612-39-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Palinavir is a small molecule drug. The usage of the INN stem '-vir' in the name indicates that Palinavir is a antiviral. Palinavir has a monoisotopic molecular weight of 708.4 Da. |
Categories: Amino Acids Amino Acids, Branched-Chain Amino Acids, Essential Amino Acids, Peptides, and Proteins Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 729 ChEBI: 177549 CHEMBL13134
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04585 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 10.5 | Ki | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 8.4 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P03366 | gag-pol | Gag-Pol polyprotein | modulator | targets |