Molecule Details
| InChIKey | VQWNFBGVGJSEIS-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-Chloro-4-cyclopropyl-4-[2-(pyridin-2-yl)ethynyl]-1,2,3,4-tetrahydroquinazolin-2-one |
| Canonical SMILES | O=C1Nc2ccc(Cl)cc2C(C#Cc2ccccn2)(C2CC2)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.63 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9WKE8 | reverse transcriptase | Human immunodeficiency virus type 1 | Pathogen | PF00078 | 7.6 | IC50 | BindingDB |
| 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 | 7.6 | IC50 | BindingDB |
| Q72547 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00075 PF00078 PF06815 PF06817 | 7.6 | IC50 | ChEMBL |