Molecule Details
| InChIKey | OAKPWEUQDVLTCN-NKWVEPMBSA-N |
|---|---|
| Compound Name | 2',3'-Dideoxyadenosine triphosphate |
| Canonical SMILES | Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.87 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02189 |
|---|---|
| Drug Name | 2',3'-Dideoxyadenosine triphosphate |
| CAS Number | 24027-80-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Adenine Nucleotides Deoxyribonucleotides Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines
Cross-references: BindingDB: 50164644 ChEBI: 172701 CHEMBL1383 ChemSpider: 58792 Guide to Pharmacology: 1709 IUPHAR: 1709 PDB: DDS PubChem:65304 PubChem:46506011 ZINC: ZINC000012501706
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBL9 | P2RX2 | Homo sapiens | Human | PF00864 | 7.1 | Ki | BindingDB |
| P56373 | P2RX3 | Homo sapiens | Human | PF00864 | 6.4 | Ki | BindingDB |
| Q9WJQ2 | reverse transcriptase | Human immunodeficiency virus type 1 | Pathogen | PF00078 | 7.3 | Ki | BindingDB |
| Q72547 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00075 PF00078 PF06815 PF06817 | 6.7 | Ki | ChEMBL;BindingDB |