AZD1979
AZD1979 is a melanin concentrating hormone receptor 1 (MCHr1) antagonist designed for the treatment of obesity.. EPHX1 catalyzes hydration and ring opening of the oxetanyl moiety of AZD1979 and is inhibited by Progabide
General
Type : Not AlphaBeta Hydrolase target, Azaspiro, Oxadiazol, Azetidin
Chemical_Nomenclature : [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]methanone
Canonical SMILES : COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6
InChI : InChI=1S\/C25H26N4O5\/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25\/h2-9,21H,10-16H2,1H3
InChIKey : BKKPIQPFRAPEAY-UHFFFAOYSA-N
Other name(s) : AZD-1979 || UNII-H9HGK5C4UM || H9HGK5C4UM || CHEMBL3787394 || SCHEMBL113480 || CHEBI:139154 || AZD 1979 || DB-102451
MW : 462.5
Formula : C25H26N4O5
CAS_number : 1254035-84-1
PubChem : 49801838
UniChem : BKKPIQPFRAPEAY-UHFFFAOYSA-N
Target
Structures : No structure
Families : Epoxide_hydrolase
References (3)
| Title : Hip To Be Square: Oxetanes as Design Elements To Alter Metabolic Pathways - Toselli_2019_J.Med.Chem_62_7383 |
| Author(s) : Toselli F , Fredenwall M , Svensson P , Li XQ , Johansson A , Weidolf L , Hayes MA |
| Ref : Journal of Medicinal Chemistry , 62 :7383 , 2019 |
| Abstract : |
| PubMedSearch : Toselli_2019_J.Med.Chem_62_7383 |
| PubMedID: 31310524 |
| Title : Oxetane Substrates of Human Microsomal Epoxide Hydrolase - Toselli_2017_Drug.Metab.Dispos_45_966 |
| Author(s) : Toselli F , Fredenwall M , Svensson P , Li XQ , Johansson A , Weidolf L , Hayes MA |
| Ref : Drug Metabolism & Disposition: The Biological Fate of Chemicals , 45 :966 , 2017 |
| Abstract : |
| PubMedSearch : Toselli_2017_Drug.Metab.Dispos_45_966 |
| PubMedID: 28600384 |
| Title : Discovery of a Novel Microsomal Epoxide Hydrolase-Catalyzed Hydration of a Spiro Oxetane - Li_2016_Drug.Metab.Dispos_44_1341 |
| Author(s) : Li XQ , Hayes MA , Gronberg G , Berggren K , Castagnoli N, Jr. , Weidolf L |
| Ref : Drug Metabolism & Disposition: The Biological Fate of Chemicals , 44 :1341 , 2016 |
| Abstract : |
| PubMedSearch : Li_2016_Drug.Metab.Dispos_44_1341 |
| PubMedID: 27256986 |
| Gene_locus related to this paper: human-EPHX1 |