CHEMBL3313966
IC50 Torpedo AChE 2.30 +/- 0.09 nM
General
Type : Bisquaternary, Pyridine, Hydrazinylidene, Hydrazide, Organochlorine, Pyridinium
Chemical_Nomenclature : 2-pyridin-1-ium-1-yl-N-[(E)-[4-[(E)-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide\;dichloride
Canonical SMILES : C1=CC=[N+](C=C1)CC(=O)N\/N=C\/C2=CC=C(C=C2)\/C=N\/NC(=O)C[N+]3=CC=CC=C3.[Cl-].[Cl-]
InChI : InChI=1S\/C22H20N6O2.2ClH\/c29-21(17-27-11-3-1-4-12-27)25-23-15-19-7-9-20(10-8-19)16-24-26-22(30)18-28-13-5-2-6-14-28\;\;\/h1-16H,17-18H2\;2*1H
InChIKey : GOPDSMGPFRLSCB-UHFFFAOYSA-N
Other name(s) :
MW : 473.4
Formula : C22H22Cl2N6O2
CAS_number :
PubChem : 57339581
UniChem : GOPDSMGPFRLSCB-UHFFFAOYSA-N
Target
Families : CHEMBL3313966 ligand of proteins in family
ACHE
Protein :
torca-ACHE
References (1)
| Title : Dynamic deconvolution of a pre-equilibrated dynamic combinatorial library of acetylcholinesterase inhibitors - Bunyapaiboonsri_2001_Chembiochem_2_438 |
| Author(s) : Bunyapaiboonsri T , Ramstrom O , Lohmann S , Lehn JM , Peng L , Goeldner M |
| Ref : Chembiochem , 2 :438 , 2001 |
| Abstract : |
| PubMedSearch : Bunyapaiboonsri_2001_Chembiochem_2_438 |
| PubMedID: 11828475 |