BChE-HDAC6-IN-2
IC(50) against hBChE 1.8 nM; HDAC6 IC(50) against HDAC6 71.0 nM
General
Type : Multitarget
Chemical_Nomenclature : 1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide
Canonical SMILES : CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)C(=O)NO
InChI : InChI=1S\/C27H30N4O4\/c1-3-31(4-2)18-23-10-6-5-9-22(23)17-28-25(32)21-13-8-14-24(16-21)29-26(33)19-11-7-12-20(15-19)27(34)30-35\/h5-16,35H,3-4,17-18H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)
InChIKey : DQAVDNDLZPSMGW-UHFFFAOYSA-N
Other name(s) : BChE\/HDAC6-IN-2, HY-149418, CS-0887682, Compound 29a
MW : 474.6
Formula : C27H30N4O4
CAS_number : 2925457-33-4
PubChem : 168510548
UniChem : DQAVDNDLZPSMGW-UHFFFAOYSA-N
Target
Families : BChE-HDAC6-IN-2 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Design, Synthesis, and Proof of Concept of Balanced Dual Inhibitors of Butyrylcholinesterase (BChE) and Histone Deacetylase 6 (HDAC6) for the Treatment of Alzheimer's Disease - Wang_2023_ACS.Chem.Neurosci__ |
| Author(s) : Wang L , Sun T , Wang Z , Liu H , Qiu W , Tang X , Guo H , Yang P , Chen Y , Sun H |
| Ref : ACS Chem Neurosci , : , 2023 |
| PubMedID: 37561893 |