Molecule Details
| InChIKey | LMXOHSDXUQEUSF-YECHIGJVSA-N |
|---|---|
| Compound Name | Sinefungin |
| Canonical SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.26 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01910 |
|---|---|
| Drug Name | Sinefungin |
| CAS Number | 58944-73-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Sinefungin is a solid. This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar. The proteins that adenosyl-ornithine target include RdmB, modification methylase TaqI, rRNA (adenine-N6-)-methyltransferase, and modification methyl... |
Categories: Anti-Infective Agents Antifungal Agents Antiparasitic Agents Antiprotozoals Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Purine Nucleosides Purines Ribonucleosides
Cross-references: BindingDB: 92471 ChEBI: 45453 CHEMBL1214186 ChemSpider: 58931 D05846 PDB: SFG PubChem:65482 PubChem:46508037 ZINC: ZINC000004217451
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43148 | RNMT | Homo sapiens | Human | PF03291 | 9.3 | IC50 | ChEMBL;BindingDB |
| Q96KQ7 | EHMT2 | Homo sapiens | Human | PF00023 PF12796 PF21533 PF05033 PF00856 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q9H9B1 | EHMT1 | Homo sapiens | Human | PF12796 PF13637 PF21533 PF05033 PF00856 | 7.0 | IC50 | ChEMBL;BindingDB |
| O14744 | PRMT5 | Homo sapiens | Human | PF05185 PF17286 PF17285 | 6.3 | IC50 | ChEMBL |
| V5TFZ2 | Dengue virus | Pathogen | PF00972 PF20483 PF01728 | 7.4 | IC50 | ChEMBL;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 | 6.6 | IC50 | ChEMBL;BindingDB |