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Inhibitor Report for: 5NN0-cpd3

The compound has a picomolar inhibition constant versus BChE, inhibits BChE ex vivo, and is non-cytotoxic. It crosses the blood-brain barrier, and improves memory, cognitive functions, and learning abilities of mice in a scopolamine model of dementia


General
Type Piperidine, Inden
Chemical_Nomenclature (+/-)-N-((1-(2,3-Dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-2-naphthamide
Canonical SMILES CN(C)CCN(C[C@@H]1CCCN(C1)C1Cc2ccccc2C1)C(=O)c1ccc2ccccc2c1
InChI InChI=1S/C30H37N3O/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3/t23-/m1/s1
InChIKey OFDHKZMZEXORRX-HSZRJFAPSA-N
Other name(s) 92H
________________________________________________________________________________________________
MW|525.55
Formula|C31H38Cl2N2O
CAS_number|
PubChem|132471735
UniChem|OFDHKZMZEXORRX-HSZRJFAPSA-N
IUPHAR|
Wikipedia|

Target
Families | 5NN0-cpd3 ligand of proteins in family: BCHE
Stucture | 1 structure: 5NN0: Human butyrylcholinesterase in complex with inhibitor with picomolar activity
Protein | human-BCHE

References:
Search PubMed for references concerning: 5NN0-cpd3
    Title: The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity
    Kosak U, Brus B, Knez D, Zakelj S, Trontelj J, Pislar A, Sink R, Jukic M, Zivin M and Gobec S <8 more author(s)>
    Ref: Journal of Medicinal Chemistry, 61:119, 2018 : PubMed