8IS-7Q1M
General
Type : Carboxamide,Diphenylacetamide
Chemical_Nomenclature : N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
Canonical SMILES : c1ccc(cc1)C(c2ccccc2)C(=O)NC[C@H](CNCC3CCCCC3)O
InChI : InChI=1S\/C24H32N2O2\/c27-22(17-25-16-19-10-4-1-5-11-19)18-26-24(28)23(20-12-6-2-7-13-20)21-14-8-3-9-15-21\/h2-3,6-9,12-15,19,22-23,25,27H,1,4-5,10-11,16-18H2,(H,26,28)\/t22-\/m0\/s1
InChIKey : FUOOCCYGXAKPCY-QFIPXVFZSA-N
Other name(s) : (S)-28,~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide
MW : 380.52
Formula : C24H32N2O2
CAS_number :
PubChem : 165430605
UniChem : FUOOCCYGXAKPCY-QFIPXVFZSA-N
IUPHAR :
Wikipedia :
Target
Families : 8IS-7Q1M ligand of proteins in family: BCHE
Stucture : 7Q1M Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
Protein : human-BCHE
References (1)
| Title : Discovery of new, highly potent and selective inhibitors of BuChE - Design, synthesis, in vitro and in vivo evaluation and crystallography studies - Panek_2023_Eur.J.Med.Chem_249_115135 |
| Author(s) : Panek D , Pasieka A , Latacz G , Zareba P , Szczech M , Godyn J , Chantegreil F , Nachon F , Brazzolotto X , Skrzypczak-Wiercioch A , Walczak M , Smolik M , Salat K , Hofner G , Wanner K , Wieckowska A , Malawska B |
| Ref : Eur Journal of Medicinal Chemistry , 249 :115135 , 2023 |
| Abstract : Panek_2023_Eur.J.Med.Chem_249_115135 |
| ESTHER : Panek_2023_Eur.J.Med.Chem_249_115135 |
| PubMedSearch : Panek_2023_Eur.J.Med.Chem_249_115135 |
| PubMedID: 36696766 |
| Gene_locus related to this paper: human-BCHE |