IA4-7BO3
General
Type : Derivative of Tryptophan,Indole,Cycloheptyl
Chemical_Nomenclature : ~{N}-(2-cycloheptylethyl)-2-(1~{H}-indol-3-yl)-~{N}-methyl-ethanamine
Canonical SMILES : CN(CCC1=C[N]([H])C2=CC=CC=C12)CCC3CCCCCC3
InChI : InChI=1S\/C20H30N2\/c1-22(14-12-17-8-4-2-3-5-9-17)15-13-18-16-21-20-11-7-6-10-19(18)20\/h6-7,10-11,16-17,21H,2-5,8-9,12-15H2,1H3
InChIKey : RDTAUTSQXMIWOP-UHFFFAOYSA-N
Other name(s) :
MW : 298.47
Formula : C20H30N2
CAS_number :
PubChem :
UniChem : RDTAUTSQXMIWOP-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : IA4-7BO3 ligand of proteins in family: BCHE
Stucture : 7BO3 Human Butyrylcholinesterase in complex with N-(2-(1H-Indol-3-yl)ethyl)-2-cycloheptyl-N-methylethan-1-amine
Protein : human-BCHE
References (1)
| Title : From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series - Meden_2022_Eur.J.Med.Chem_230_114248 |
| Author(s) : Meden A , Knez D , Brazzolotto X , Nachon F , Dias J , Svete J , Stojan J , Groselj U , Gobec S |
| Ref : Eur Journal of Medicinal Chemistry , 230 :114248 , 2022 |
| Abstract : Meden_2022_Eur.J.Med.Chem_230_114248 |
| ESTHER : Meden_2022_Eur.J.Med.Chem_230_114248 |
| PubMedSearch : Meden_2022_Eur.J.Med.Chem_230_114248 |
| PubMedID: 35299116 |
| Gene_locus related to this paper: human-BCHE |