8UW-7Q1P
General
Type : Carboxamide,Diphenylacetamide
Chemical_Nomenclature : N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
Canonical SMILES : c1ccc(cc1)C(CC(=O)NC[C@@H](CNCC2CCCCC2)O)c3ccccc3
InChI : InChI=1S\/C25H34N2O2\/c28-23(18-26-17-20-10-4-1-5-11-20)19-27-25(29)16-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22\/h2-3,6-9,12-15,20,23-24,26,28H,1,4-5,10-11,16-19H2,(H,27,29)\/t23-\/m1\/s1
InChIKey : AGQFRFDHZZBREO-HSZRJFAPSA-N
Other name(s) : ~{N}-[(2~{R})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide,(R)-29
MW : 394.55
Formula : C25H34N2O2
CAS_number :
PubChem : 165430608
UniChem : AGQFRFDHZZBREO-HSZRJFAPSA-N
IUPHAR :
Wikipedia :
Target
Families : 8UW-7Q1P ligand of proteins in family: BCHE
Stucture : 7Q1P Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
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 |