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Inhibitor Report for: 6SAM-cpd13

Ligand combining cholinesterase and monoamine oxidase inhibition. IC50 = 0.06 muM for BCHE


General
Type Multitarget, Piperidine, Inden, Monoamine-oxidase-inhibitor, Carbamate
Chemical_Nomenclature 1-(2,3-dihydro-1H-inden2-yl)piperidin-3-yl N-phenyl carbamate
Canonical SMILES C1=CC2=C(C=C1)CC(C2)N3CCCC(C3)OC(NC4=CC=CC=C4)=O C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)OC(=O)NC4=CC=CC=C4
InChI InChI=1S/C21H24N2O2/c24-21(22-18-9-2-1-3-10-18)25-20-11-6-12-23(15-20)19-13-16-7-4-5-8-17(16)14-19/h1-5,7-10,19-20H,6,11-15H2,(H,22,24) InChI=1S/C21H24N2O2/c24-21(22-18-9-2-1-3-10-18)25-20-11-6-12-23(15-20)19-13-16-7-4-5-8-17(16)14-19/h1-5,7-10,19-20H,6,11-15H2,(H,22,24)/p+1/t20-/m0/s1
InChIKey ISMYNYFEVMBAEI-UHFFFAOYSA-N ISMYNYFEVMBAEI-FQEVSTJZSA-O
Other name(s) L3H
________________________________________________________________________________________________
MW|336.43
Formula|C21H24N2O2
CAS_number|
PubChem|146035902
UniChem|ISMYNYFEVMBAEI-UHFFFAOYSA-N, ISMYNYFEVMBAEI-FQEVSTJZSA-O
IUPHAR|
Wikipedia|

Target
Families | 6SAM-cpd13 ligand of proteins in family: BCHE
Stucture | 1 structure: 6SAM: Structure of human butyrylcholinesterase in complex with 1-(2,3-dihydro-1H-inden2-yl)piperidin-3-yl N-phenyl carbamate
Protein | human-BCHE

References:
Search PubMed for references concerning: 6SAM-cpd13
    Title: N-alkylpiperidine carbamates as potential anti-Alzheimer's agents
    Kosak U, Strasek N, Knez N, Jukic M, Zakelj S, Zahirovic A, Pislar A, Brazzolotto X, Nachon F and Knez D <2 more author(s)>
    Ref: Eur Journal of Medicinal Chemistry, 197:112282, 2020 : PubMed