6QAD-HUZ
IC50 14.0 nM for human BChE Residual activity of 63% for human AChE. Compound 13 of the paper Meden et al. derived from Tryptophan
General
Type : Derivative of Tryptophan,Indole
Chemical_Nomenclature : (2S)-2-(butylamino)-N-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1H-indol-3-yl)propanamide
Canonical SMILES : CCCCNC(CC1=CNC2=CC=CC=C21)C(=O)NCCC3CCC(CC3)N(C)C
InChI : InChI=1S\/C25H40N4O\/c1-4-5-15-26-24(17-20-18-28-23-9-7-6-8-22(20)23)25(30)27-16-14-19-10-12-21(13-11-19)29(2)3\/h6-9,18-19,21,24,26,28H,4-5,10-17H2,1-3H3,(H,27,30)\/t19?,21?,24-\/m0\/s1
InChIKey : NDNXTWYOKPDDNQ-HQOBLLPJSA-N
Other name(s) : HUZ
MW : 412.6
Formula : C25H40N4O
CAS_number :
PubChem : 137552757
UniChem : NDNXTWYOKPDDNQ-HQOBLLPJSA-N
IUPHAR :
Wikipedia :
Target
Families : 6QAD-HUZ ligand of proteins in family: BCHE
Stucture : 6QAD Human Butyrylcholinesterase in complex with ((S)-2-(butylamino)-N-(2-(4-(dimethylamino)cyclohexyl)ethyl)-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 |