LE-77
FXR/CES2 dual modulator LE-77 for the treatment of irinotecan-induced delayed diarrhea. LE-77 IC50 CES2 2.037 +/- 0.13; CES1 >100 microM
General
Type : Cyclopropyl
Chemical_Nomenclature : 2-[4-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]phenoxy]acetic acid
Canonical SMILES : C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC=C(C=C4)C5=CC=C(C=C5)OCC(=O)O
InChI : InChI=1S\/C27H21Cl2NO5\/c28-22-2-1-3-23(29)25(22)26-21(27(35-30-26)18-4-5-18)14-33-19-10-6-16(7-11-19)17-8-12-20(13-9-17)34-15-24(31)32\/h1-3,6-13,18H,4-5,14-15H2,(H,31,32)
InChIKey : RPKZEWFQFHBIQI-UHFFFAOYSA-N
Other name(s) : 2-((4-((5-cyclopropyl-3-(2,6-dichlorophenyl) isoxazol-4-yl) methoxy)-[1,1-biphenyl]-4-yl) oxy) acetic acid
MW : 510.4
Formula : C27H21Cl2NO5
CAS_number :
PubChem : 170551885
UniChem : RPKZEWFQFHBIQI-UHFFFAOYSA-N
Target
Families : LE-77 ligand of proteins in family
Carb_B_Chordata
Protein :
human-CES2
References (1)
| Title : Discovery of the FXR\/CES2 dual modulator LE-77 for the treatment of irinotecan-induced delayed diarrhea - Cao_2024_Bioorg.Chem_153_107852 |
| Author(s) : Cao Z , Wang W , Yang Z , Liu Y , Sun L , Zhang L , Li Z |
| Ref : Bioorg Chem , 153 :107852 , 2024 |
| Abstract : |
| PubMedSearch : Cao_2024_Bioorg.Chem_153_107852 |
| PubMedID: 39362081 |