FAAH_sEH_4.5
dual inhibitor of FAAH (not aB-hydrolase) and sEH: IC50 (nM) 7 (FAAH) 9.6(sEH)
General
Type : Benzothiazol,Piperidine,Sulfur Compound,Carboxamide
Chemical_Nomenclature :
Canonical SMILES : C1=CC(=CC=C1C2=NC3=C(S2)C=CC=C3)NC(=O)C4CCN(CC4)[S](=O)(=O)C5=CC=CC=C5Cl
InChI : InChI=1S\/C25H22ClN3O3S2\/c26-20-5-1-4-8-23(20)34(31,32)29-15-13-17(14-16-29)24(30)27-19-11-9-18(10-12-19)25-28-21-6-2-3-7-22(21)33-25\/h1-12,17H,13-16H2,(H,27,30)
InChIKey : NVHVCPVLWHYRRB-UHFFFAOYSA-N
Other name(s) : Compound 3,Compound 4.5
MW : 512.04
Formula : C25H22ClN3O3S2
CAS_number :
PubChem :
UniChem : NVHVCPVLWHYRRB-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : FAAH_sEH_4.5 ligand of proteins in family: Epoxide_hydrolase
Stucture :
Protein : human-EPHX2
References (2)
| 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 |
| Title : Development of multitarget inhibitors for the treatment of pain: Design, synthesis, biological evaluation and molecular modeling studies - Wilt_2020_Bioorg.Chem_103_104165 |
| Author(s) : Wilt S , Kodani S , Le TNH , Nguyen L , Vo N , Ly T , Rodriguez M , Hudson PK , Morisseau C , Hammock BD , Pecic S |
| Ref : Bioorg Chem , 103 :104165 , 2020 |
| Abstract : Wilt_2020_Bioorg.Chem_103_104165 |
| ESTHER : Wilt_2020_Bioorg.Chem_103_104165 |
| PubMedSearch : Wilt_2020_Bioorg.Chem_103_104165 |
| PubMedID: 32891856 |