6QAC-HUT
IC50 6.2 nM for human BChE Residual activity of 58% for human AChE. Compound 8 of the paper Meden et al. derived from Tryptophan
General
Type : Derivative of Tryptophan,Indole
Chemical_Nomenclature : (2S)-2-(butylamino)-N-(3-cycloheptylpropyl)-3-(1H-indol-3-yl)propanamide
Canonical SMILES : CCCCNC(CC1=CNC2=CC=CC=C21)C(=O)NCCCC3CCCCCC3
InChI : InChI=1S\/C25H39N3O\/c1-2-3-16-26-24(18-21-19-28-23-15-9-8-14-22(21)23)25(29)27-17-10-13-20-11-6-4-5-7-12-20\/h8-9,14-15,19-20,24,26,28H,2-7,10-13,16-18H2,1H3,(H,27,29)\/t24-\/m0\/s1
InChIKey : UWVIHWQBZNJHCM-DEOSSOPVSA-N
Other name(s) : HUT
MW : 397.6
Formula : C25H39N3O
CAS_number :
PubChem : 138753258
UniChem : UWVIHWQBZNJHCM-DEOSSOPVSA-N
IUPHAR :
Wikipedia :
Target
Families : 6QAC-HUT ligand of proteins in family: BCHE
Stucture : 6QAC Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(3-cycloheptylpropyl)-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 |