LK864
polar spirocyclic orally bioavailable urea epoxide-hydrolase inhibitor
General
Type : Azaspiro,Sulfur Compound,Sulfonyl,Urea derivative,Trifluoro
Chemical_Nomenclature : N-[9-(Isopropylsulfonyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]-N'-[4-(trifluoro-methoxy)benzyl]urea
Canonical SMILES : O=C(NCC1=CC=C(C=C1)OC(F)(F)F)N[C@@H]2CCOC3(C2)CCN(CC3)[S](=O)(=O)C(C)C
InChI : InChI=1S\/C21H30F3N3O5S\/c1-15(2)33(29,30)27-10-8-20(9-11-27)13-17(7-12-31-20)26-19(28)25-14-16-3-5-18(6-4-16)32-21(22,23)24\/h3-6,15,17H,7-14H2,1-2H3,(H2,25,26,28)\/t17-\/m1\/s1
InChIKey : BZTKUYQNORQBRG-QGZVFWFLSA-N
Other name(s) : (+)-22
MW : 494.18
Formula : C21H31F3N3O5S
CAS_number :
PubChem :
UniChem : BZTKUYQNORQBRG-QGZVFWFLSA-N
IUPHAR :
Wikipedia :
Target
Families : LK864 ligand of proteins in family: Epoxide_hydrolase
Stucture : 6FR2 Huamn soluble epoxide hydrolase in complex with LK864 polar spirocyclic orally bioavailable urea inhibitor
Protein : human-EPHX2
References (1)
| Title : Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase - Lukin_2018_Bioorg.Chem_80_655 |
| Author(s) : Lukin A , Kramer J , Hartmann M , Weizel L , Hernandez-Olmos V , Falahati K , Burghardt I , Kalinchenkova N , Bagnyukova D , Zhurilo N , Rautio J , Forsberg M , Ihalainen J , Auriola S , Leppanen J , Konstantinov I , Pogoryelov D , Proschak E , Dar'in D , Krasavin M |
| Ref : Bioorg Chem , 80 :655 , 2018 |
| Abstract : Lukin_2018_Bioorg.Chem_80_655 |
| ESTHER : Lukin_2018_Bioorg.Chem_80_655 |
| PubMedSearch : Lukin_2018_Bioorg.Chem_80_655 |
| PubMedID: 30059891 |
| Gene_locus related to this paper: human-EPHX2 |