CD05692
CD05692 has shown good hAChE inhibition (IC50=0.927+/-0.019microM) and moderate hBChE inhibition (IC50=6.377+/-0.038microM)
General
Type : Piperidine, Cyanide
Chemical_Nomenclature : 2-[(1-benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile
Canonical SMILES : C1CN(CCC1NC2=C(C(=CC=C2)F)C#N)CC3=CC=CC=C3
InChI : InChI=1S\/C19H20FN3\/c20-18-7-4-8-19(17(18)13-21)22-16-9-11-23(12-10-16)14-15-5-2-1-3-6-15\/h1-8,16,22H,9-12,14H2
InChIKey : VKALFKHZVOJYKX-UHFFFAOYSA-N
Other name(s) : CDS1_000655 || Maybridge1_002943 || Oprea1_665334 || DivK1c_001695 || HMS549N17 || CCG-50168
Target
Families : CD05692 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Discovery of novel dual acetylcholinesterase and butyrylcholinesterase inhibitors using machine learning and structure-based drug design - Tripathi_2023_J.Mol.Struct_1286_135517 |
| Author(s) : Tripathi MK , Bhardwaj B , Waiker DK , Tripathi A , Shrivastava SK |
| Ref : J Mol Struct , 1286 :135517 , 2023 |
| Abstract : |
| PubMedSearch : Tripathi_2023_J.Mol.Struct_1286_135517 |
| PubMedID: |