Molecule Details
| InChIKey | VTCUUTNDNRAQSK-NCNWUEASSA-N |
|---|---|
| Canonical SMILES | CC1=CCC(C(=O)/N=C2\CC=C(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c32)=C/C1=N/C(=O)C1=CC=C/C(=N\C(=O)/N=C2\C=CC=C(C(=O)/N=C3/CC(C(=O)/N=C4\CC=C(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c54)=CC=C3C)C2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.57 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q96EB6 | SIRT1 | Homo sapiens | Human | PF02146 | 7.5 | IC50 | BindingDB |
| P22413 | ENPP1 | Homo sapiens | Human | PF01223 PF01663 PF01033 | 6.6 | Ki | BindingDB |
| O14638 | ENPP3 | Homo sapiens | Human | PF01663 PF01033 | 6.0 | IC50 | BindingDB |
| P29990 | Dengue virus type 2 (strain Thailand/16681/1984) | Pathogen | PF20907 PF01003 PF07652 PF21659 PF02832 PF00869 PF01004 PF00948 PF01005 PF01002 PF01350 PF01349 PF00972 PF20483 PF01570 PF01728 PF00949 | 6.1 | Ki | BindingDB |