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
Stucture :
Protein : human-ABHD5 || mouse-abhd5
References (1)
| Title : Molecular Modeling of ABHD5 Structure and Ligand Recognition - Shahoei_2022_Front.Mol.Biosci_9_935375 |
| Author(s) : 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 |
| Abstract : Shahoei_2022_Front.Mol.Biosci_9_935375 |
| ESTHER : Shahoei_2022_Front.Mol.Biosci_9_935375 |
| PubMedSearch : Shahoei_2022_Front.Mol.Biosci_9_935375 |
| PubMedID: 35836935 |
| Gene_locus related to this paper: human-ABHD5 , mouse-abhd5 |