Molecule Details
| InChIKey | GVCHBMCBPBRORW-ONEGZZNKSA-N |
|---|---|
| Compound Name | 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide |
| Canonical SMILES | Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2ccsc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.87 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q72547 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00075 PF00078 PF06815 PF06817 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q9WKE8 | reverse transcriptase | Human immunodeficiency virus type 1 | Pathogen | PF00078 | 6.9 | IC50 | BindingDB |