Benzothiazole-analogue-13f
dual inhibitor of FAAH (not aB-hydrolase) and sEH: IC50 (nM) 1.8 (FAAH) 8.7 (sEH)
General
Type : Benzothiazol,Piperidine,Sulfur Compound,Sulfonamide,Carboxamide
Chemical_Nomenclature : 1-(2-chlorophenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
Canonical SMILES : CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5Cl
InChI : InChI=1S\/C26H24ClN3O3S2\/c1-17-6-11-22-23(16-17)34-26(29-22)19-7-9-20(10-8-19)28-25(31)18-12-14-30(15-13-18)35(32,33)24-5-3-2-4-21(24)27\/h2-11,16,18H,12-15H2,1H3,(H,28,31)
InChIKey : HPMYEWNJGYVDEY-UHFFFAOYSA-N
Other name(s) : benzothiazole analogue, 13f,CHEMBL468258,BDBM26714,Compound 6H
MW : 526.1
Formula : C26H24ClN3O3S2
CAS_number :
PubChem : 25187407
UniChem : HPMYEWNJGYVDEY-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Benzothiazole-analogue-13f ligand of proteins in family: Epoxide_hydrolase
Stucture :
Protein : human-EPHX2
References (1)
| Title : Further exploration of the structure-activity relationship of dual soluble epoxide hydrolase\/fatty acid amide hydrolase inhibitors - Wilt_2021_Bioorg.Med.Chem_51_116507 |
| Author(s) : Wilt S , Kodani S , Valencia L , Hudson PK , Sanchez S , Quintana T , Morisseau C , Hammock BD , Kandasamy R , Pecic S |
| Ref : Bioorganic & Medicinal Chemistry , 51 :116507 , 2021 |
| Abstract : Wilt_2021_Bioorg.Med.Chem_51_116507 |
| ESTHER : Wilt_2021_Bioorg.Med.Chem_51_116507 |
| PubMedSearch : Wilt_2021_Bioorg.Med.Chem_51_116507 |
| PubMedID: 34794001 |