6QAA-HUN
IC50 22 nM for human BChE Residual activity of 52% for human AChE. Compound 6 of the paper Meden et al. derived from Tryptophan
General
Type : Derivative of Tryptophan,Indole
Chemical_Nomenclature : butyl-[(2S)-1-(2-cycloheptylethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
Canonical SMILES : CCCC[NH2+]C(CC1=CNC2=CC=CC=C21)C(=O)NCCC3CCCCCC3
InChI : InChI=1S\/C24H37N3O\/c1-2-3-15-25-23(17-20-18-27-22-13-9-8-12-21(20)22)24(28)26-16-14-19-10-6-4-5-7-11-19\/h8-9,12-13,18-19,23,25,27H,2-7,10-11,14-17H2,1H3,(H,26,28)\/p+1\/t23-\/m0\/s1
InChIKey : LDOSYPMIOHKIEJ-QHCPKHFHSA-O
Other name(s) : HUN
MW : 384.6
Formula : C24H38N3O+
CAS_number :
PubChem : 138753255
UniChem : LDOSYPMIOHKIEJ-QHCPKHFHSA-O
IUPHAR :
Wikipedia :
Target
Families : 6QAA-HUN ligand of proteins in family: BCHE
Stucture : 6QAA Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2-cycloheptylethyl)-3-(1H-indol-3-yl)propanamide
Protein : human-BCHE
References (1)
| Title : Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease - Meden_2019_Chem.Commun.(Camb)_55_3765 |
| Author(s) : Meden A , Knez D , Jukic M , Brazzolotto X , Grsic M , Pislar A , Zahirovic A , Kos J , Nachon F , Svete J , Gobec S , Groselj U |
| Ref : Chem Commun (Camb) , 55 :3765 , 2019 |
| Abstract : Meden_2019_Chem.Commun.(Camb)_55_3765 |
| ESTHER : Meden_2019_Chem.Commun.(Camb)_55_3765 |
| PubMedSearch : Meden_2019_Chem.Commun.(Camb)_55_3765 |
| PubMedID: 30864579 |
| Gene_locus related to this paper: human-BCHE |