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Inhibitor Report for: SR-3134

ABHD5 IC50 39.841 microM poor inhibitor


General
Type Piperazine, Sulfur Compound, Sulfonamide, Benzofuran
Chemical_Nomenclature 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
Canonical SMILES COC1=CC=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4
InChI InChI=1S/C22H26N2O6S/c1-28-18-5-3-17(4-6-18)15-22(25)23-9-11-24(12-10-23)31(26,27)19-7-8-20-21(16-19)30-14-2-13-29-20/h3-8,16H,2,9-15H2,1H3
InChIKey RQHNBRROVFGWBC-UHFFFAOYSA-N
Other name(s) SR-03000003134 ; SR3134 ; ZINC13072081 ; AKOS034053693 ; MCULE-5718727641 ; SR-03000003134-1
________________________________________________________________________________________________
MW|446.5
Formula|C22H26N2O6S"
CAS_number|
PubChem|25701322
UniChem|RQHNBRROVFGWBC-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | SR-3134 ligand of proteins in family: CGI-58_ABHD5_ABHD4
Protein | human-ABHD5, mouse-abhd5

References:
Search PubMed for references concerning: SR-3134
    Title: Molecular Modeling of ABHD5 Structure and Ligand Recognition
    Shahoei R, Pangeni S, Sanders MA, Zhang H, Mladenovic-Lucas L, Roush WR, Halvorsen G, Kelly CV, Granneman JG, Huang YM
    Ref: Front Mol Biosci, 9:935375, 2022 : PubMed