CHEBI:149436 - 6-de(cyclopropylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)abacavir

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ChEBI Name 6-de(cyclopropylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)abacavir ChEBI ID CHEBI:149436 Definition A 2,6-diaminopurine that is an analogue of abacavir in which the cyclopropylamino group at position 6 of the purine moiety is replaced by a 3-cyclopropyl-3-fluoroazetidin-1-yl group. One of a series of synthesised abacavir analogues with antiviral activity found to stimulate IFN-γ secretion in abacavir-responsive clones. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H21FN6O Net Charge 0 Average Mass 344.394 Monoisotopic Mass 344.17609 InChI InChI=1S/C17H21FN6O/c18-17(11-2-3-11)7-23(8-17)14-13-15(22-16(19)21-14)24(9-20-13)12-4-1-10(5-12)6-25/h1,4,9-12,25H,2-3,5-8H2,(H2,19,21,22)/t10-,12+/m1/s1 InChIKey PVCSYQLWBAGPTF-PWSUYJOCSA-N SMILES [C@H]1(C=C[C@@H](C1)N2C=3C(N=C2)=C(N=C(N3)N)N4CC(C4)(C5CC5)F)CO Roles Classification Biological Role(s): antiviral agent A substance that destroys or inhibits replication of viruses. drug allergen Any drug which causes the onset of an allergic reaction. (via abacavir ) HIV-1 reverse transcriptase inhibitor An entity which inhibits the activity of HIV-1 reverse transcriptase. (via abacavir ) antiviral drug A substance used in the prophylaxis or therapy of virus diseases. (via abacavir ) Application(s): drug allergen Any drug which causes the onset of an allergic reaction. (via abacavir ) antiviral drug A substance used in the prophylaxis or therapy of virus diseases. (via abacavir ) View more via ChEBI Ontology ChEBI Ontology Outgoing 6-de(cyclopropylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)abacavir (CHEBI:149436) has role antiviral agent (CHEBI:22587) 6-de(cyclopropylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)abacavir (CHEBI:149436) is a 2,6-diaminopurines (CHEBI:38001) 6-de(cyclopropylamino)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)abacavir (CHEBI:149436) is a abacavir (CHEBI:421707) IUPAC Name {(1S,4R)-4-[2-amino-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol Synonym Source (1S,4R)-4-[2-amino-6-(3-cyclopropyl-3-fluoro-1-azetidinyl)-9H-purin-9-yl]-2-cyclopentene-1-methanol ChEBI Citation Type Source 31549414 PubMed citation Europe PMC Last Modified 09 April 2020