Aminoalkyl-tetrahydropyrimido-azocine-7c
human BChE Ki of 7.8 nM
General
Type : Pyrimidine
Chemical_Nomenclature : methyl (6E)-4-[3-(diethylamino)propylamino]-2-phenyl-8-propan-2-yl-9,10-dihydro-5H-pyrimido[4,5-d]azocine-6-carboxylate
Canonical SMILES : CCN(CC)CCCNC1=NC(=NC2=C1CC(=CN(CC2)C(C)C)C(=O)OC)C3=CC=CC=C3
InChI : InChI=1S\/C27H39N5O2\/c1-6-31(7-2)16-11-15-28-26-23-18-22(27(33)34-5)19-32(20(3)4)17-14-24(23)29-25(30-26)21-12-9-8-10-13-21\/h8-10,12-13,19-20H,6-7,11,14-18H2,1-5H3,(H,28,29,30)\/b22-19+
InChIKey : UNBZCEWKTVYZBB-ZBJSNUHESA-N
Other name(s) :
MW : 465.6
Formula : C27H39N5O2
CAS_number :
PubChem : 142762840
UniChem : UNBZCEWKTVYZBB-ZBJSNUHESA-N
Target
Families : Aminoalkyl-tetrahydropyrimido-azocine-7c ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : In-vitro and in-silico studies of annelated 1,4,7,8-tetrahydroazocine ester derivatives as nanomolar selective inhibitors of human butyrylcholinesterase - de Candia_2023_Chem.Biol.Interact_14ChEPon_110741 |
| Author(s) : de Candia M , Titov AA , Viayna A , Kulikova LN , Purgatorio R , Piergiovanni B , Niso M , Catto M , Voskressensky LG , Luque FJ , Altomare CD |
| Ref : Chemico-Biological Interactions , :110741 , 2023 |
| PubMedID: 37839515 |