Molecule Details
| InChIKey | MCGSCOLBFJQGHM-SCZZXKLOSA-N |
|---|---|
| Canonical SMILES | Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.89 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01048 |
|---|---|
| Drug Name | Abacavir |
| CAS Number | 136470-78-5 |
| Groups | approved investigational |
| ATC Codes | J05AR13 J05AR02 J05AR04 J05AF06 |
| Description | Abacavir (ABC) is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. Chemically, it is a synthetic carbocyclic nucleoside and is the enantiomer with 1S, 4R absolute configuration on the cyclopentene ring. In vivo, abacavir sulfate dissociates to its free ... |
Categories: Anti-HIV Agents Anti-Infective Agents Anti-Retroviral Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Antivirals used in combination for the treatment of HIV infections Cycloparaffins Deoxyadenosines Deoxyribonucleosides Dideoxynucleosides Direct Acting Antivirals Drugs that are Mainly Renally Excreted Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Human Immunodeficiency Virus Nucleoside Analog Reverse Transcriptase Inhibitor Nucleic Acid Synthesis Inhibitors Nucleic Acids, Nucleotides, and Nucleosides Nucleoside Reverse Transcriptase Inhibitors Nucleoside and Nucleotide Reverse Transcriptase Inhibitors Nucleosides Purine Nucleosides Purines Reverse Transcriptase Inhibitors UGT1A1 Substrates
Cross-references: BindingDB: 50366816 ChEBI: 421707 CHEMBL1380 ChemSpider: 390063 Drugs Product Database (DPD): 11893 C07624 D07057 PDB: 1KX PharmGKB: PA448004 PubChem:441300 PubChem:46505718 RxCUI: 190521 Therapeutic Targets Database: DAP000704 Wikipedia: Abacavir ZINC: ZINC000002015928
Target Activities (2)
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P28332 | P28332 | Alcohol dehydrogenase 6 | substrate | enzymes |
| P55263 | ADK | Adenosine kinase | substrate | enzymes |
| P03366 | gag-pol | Gag-Pol polyprotein | inhibitor | targets |
| Q72547 | pol | Reverse transcriptase/RNaseH | inhibitor | targets |