CHEBI:132811 - NAV2729

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ChEBI Name NAV2729 ChEBI ID CHEBI:132811 Definition A pyrazolopyrimidine that is 4H-pyrazolo[1,5-a]pyrimidin-7-one which is substituted at positions 2, 3, and 5 by benzyl, p-chlorophenyl, and p-nitrophenyl groups, respectively. It is an inhibitor of ADP-ribosylation factor 6 (ARF6), a member of the ADP ribosylation factor family of GTP-binding proteins. Stars This entity has been manually annotated by the ChEBI Team. Submitter Margaret Duesbury 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 C25H17ClN4O3 Net Charge 0 Average Mass 456.881 Monoisotopic Mass 456.09892 InChI InChI=1S/C25H17ClN4O3/c26-19-10-6-18(7-11-19)24-22(14-16-4-2-1-3-5-16)28-29-23(31)15-21(27-25(24)29)17-8-12-20(13-9-17)30(32)33/h1-13,15,27H,14H2 InChIKey GUUWHOSUKOCRHG-UHFFFAOYSA-N SMILES N12C(NC(=CC1=O)C3=CC=C(C=C3)[N+]([O-])=O)=C(C(=N2)CC4=CC=CC=C4)C5=CC=C(C=C5)Cl Roles Classification Biological Role(s): inhibitor A substance that diminishes the rate of a chemical reaction. View more via ChEBI Ontology ChEBI Ontology Outgoing NAV2729 (CHEBI:132811) has role inhibitor (CHEBI:35222) NAV2729 (CHEBI:132811) is a C-nitro compound (CHEBI:35716) NAV2729 (CHEBI:132811) is a monochlorobenzenes (CHEBI:83403) NAV2729 (CHEBI:132811) is a pyrazolopyrimidine (CHEBI:38669) IUPAC Name 2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one Synonyms Sources 2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)-4H-pyrazolo[1,5-a]pyrimidin-7-one ChEBI NAV-2729 ChEBI Manual Xref Database WO2015183989 Patent View more database links Registry Number Type Source 24485055 Reaxys Registry Number Reaxys Citation Type Source 27265506 PubMed citation SUBMITTER Last Modified 10 August 2016