Inhibitor

Bibliography

Biblio print

Tree Display

AceDB Schema

XML Display

Feedback

Inhibitor Report for: Tetracyclic-triterpene-36e

Name Class
Tetracyclic-triterpene-36eTypeTerpenoid
Natural_modified
anti-Abeta-aggregation
Sulfur Compound
Other_NameCHEMBL1783514
BDBM50346357
20S-[(3-methoxybenzyl)(methyl)amino]-16alpha-hydroxy-4beta,14alpha-dimethyl-9,19-cyclo-{2''-isopropyl-5'',6''-dihydro-4''aH-[1'',3'']thiazino[4'',5'':3,4]}-5alpha,9beta-pregnan-11-one
Chemical_Nomenclature(1R,3R,6R,7S,8R,10S,11S,14R,15S,20S)-8-hydroxy-7-[(1S)-1-[(3-methoxyphenyl)methyl-methylamino]ethyl]-6,10,15-trimethyl-18-propan-2-yl-17-thia-19-azahexacyclo[12.8.0.01,3.03,11.06,10.015,20]docos-18-en-4-one
FormulaC37H54N2O3S
MW606.9
PaperRouleau_2011_Eur.J.Med.Chem_46_2193
Comment36e IC50 nM EeAChE 6+/-0.5 hAChE 3+/-0.2 hBChE 477+/-35. Nanomolar range AChE inhibition and show ability to block the AChE-induced A-beta aggregation.close to Betulinic-acid derived from buxidine
Gene_locushuman-ACHE
CID54587253
FamilyACHE
InChIKeyMNADYPWSJDDNJK-SGOUQRLHSA-N
CanonicalSMILESCC(C)C1=NC2CCC34CC35C(CCC4C2(CS1)C)C6(CC(C(C6(CC5=O)C)C(C)N(C)CC7=CC(=CC=C7)OC)O)C
InChIInChI=1S/C37H54N2O3S/c1-22(2)32-38-29-14-15-36-20-37(36)28(13-12-27(36)33(29,4)21-43-32)34(5)17-26(40)31(35(34,6)18-30(37)41)23(3)39(7)19-24-10-9-11-25(16-24)42-8/h9-11,16,22-23,26-29,31,40H,12-15,17-21H2,1-8H3/t23-,26+,27-,28-,29-,31-,33-,34-,35+,36+,37-/m0/s1

Send your questions or comments to :
Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
For technical information about these pages see:
ESTHER Home Page and ACEDB Home Page
AcePerl Lincoln Stein Home Page
webmaster

Acknowledgements and disclaimer