H34

General

Type : Derivative of Huperzine, Triazol

Chemical_Nomenclature : {1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}methanol

Canonical SMILES : C1C2CC3=NC4=C(C=CC(=C4)Cl)C(=C3C1CC(=C2)CCCCN5C=C(N=N5)CO)N

InChI : InChI=1S\/C23H26ClN5O\/c24-17-4-5-19-20(11-17)26-21-10-15-7-14(8-16(9-15)22(21)23(19)25)3-1-2-6-29-12-18(13-30)27-28-29\/h4-5,7,11-12,15-16,30H,1-3,6,8-10,13H2,(H2,25,26)\/t15-,16+\/m0\/s1

InChIKey : MHMXFYDLGYPRNA-JKSUJKDBSA-N

Other name(s) : 4a16


MW : 423.93

Formula : C23H26ClN5O

CAS_number :

PubChem : 56851697

UniChem : MHMXFYDLGYPRNA-JKSUJKDBSA-N

Target

Families : H34 ligand of proteins in family
ACHE BCHE

Structure :
4A16

Protein :
mouse-ACHE

References (1)

Title : Huprine derivatives as sub-nanomolar human acetylcholinesterase inhibitors: from rational design to validation by X-ray crystallography - Ronco_2012_ChemMedChem_7_400
Author(s) : Ronco C , Carletti E , Colletier JP , Weik M , Nachon F , Jean L , Renard PY
Ref : ChemMedChem , 7 :400 , 2012
Abstract :
PubMedSearch : Ronco_2012_ChemMedChem_7_400
PubMedID: 22052791
Gene_locus related to this paper: mouse-ACHE