Molecule Details
| InChIKey | WHSIXKUPQCKWBY-IOSLPCCCSA-N |
|---|---|
| Compound Name | 5-Iodotubercidin |
| Canonical SMILES | Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.09 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04604 |
|---|---|
| Drug Name | 5-iodotubercidin |
| CAS Number | 24386-93-4 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Adenosine Kinase, antagonists & inhibitors Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Purine Nucleosides Purines Ribonucleosides
Cross-references: BindingDB: 50375654 ChEBI: 40167 CHEMBL99203 ChemSpider: 87822 PDB: 5ID PubChem:97297 PubChem:46506259 ZINC: ZINC000005161616
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8TF76 | HASPIN | Homo sapiens | Human | PF12330 | 8.3 | IC50 | ChEMBL |
| P55263 | ADK | Homo sapiens | Human | PF00294 | 7.6 | Ki | ChEMBL;BindingDB |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL;BindingDB |
| A5U4N0 | adoK | Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra) | Pathogen | PF00294 | 6.7 | Ki | ChEMBL |