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Inhibitor Report for: 5-deoxo-3-hydroxyevodiamine-heptyl-carbamate

heptyl carbamate of 5-deoxo-3-hydroxyevodiamine BCHE IC50 77 nM


General
Type Carbamate, Natural_modified, Derivative of Evodiamine
Chemical_Nomenclature (21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaen-17-yl) N-heptylcarbamate
Canonical SMILES CCCCCCCNC(=O)OC1=CC2=C(C=C1)N(C3C4=C(CCN3C2)C5=CC=CC=C5N4)C
InChI InChI=1S/C27H34N4O2/c1-3-4-5-6-9-15-28-27(32)33-20-12-13-24-19(17-20)18-31-16-14-22-21-10-7-8-11-23(21)29-25(22)26(31)30(24)2/h7-8,10-13,17,26,29H,3-6,9,14-16,18H2,1-2H3,(H,28,32)
InChIKey HKHKOTPYNYYBTG-UHFFFAOYSA-N
Other name(s) CHEMBL3262489 ; BDBM50016244 ; Compound 11c
________________________________________________________________________________________________
MW|446.6
Formula|C27H34N4O2
CAS_number|
PubChem|90643589
UniChem|HKHKOTPYNYYBTG-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | 5-deoxo-3-hydroxyevodiamine-heptyl-carbamate ligand of proteins in family: BCHE
Protein | human-BCHE

References:
Search PubMed for references concerning: 5-deoxo-3-hydroxyevodiamine-heptyl-carbamate
    Title: Identification of a neuroprotective and selective butyrylcholinesterase inhibitor derived from the natural alkaloid evodiamine
    Huang G, Kling B, Darras FH, Heilmann J, Decker M
    Ref: Eur Journal of Medicinal Chemistry, 81C:15, 2014 : PubMed