Molecule Details
InChIKeyMCGSCOLBFJQGHM-SCZZXKLOSA-N
Canonical SMILESNc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL6.89
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01048
Drug NameAbacavir
CAS Number136470-78-5
Groups approved investigational
ATC Codes J05AR13 J05AR02 J05AR04 J05AF06
DescriptionAbacavir (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)
Target Gene Organism Category Pfam pChEMBL Type Source
Q72547 pol Human immunodeficiency virus type 1 Pathogen PF00075 PF00078 PF06815 PF06817 6.9 IC50 ChEMBL
Q9WKE8 reverse transcriptase Human immunodeficiency virus type 1 Pathogen PF00078 6.9 IC50 BindingDB
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