CHEMBL1669464
IC50 (AChE) 792.1 nM (pIC50 +/- SEM: 6.101 +/- 0.024); IC50 (BChE) 3.0 nM (pIC50 +/- SEM: 8.525 +/- 0.019)
General
Type : Quinazoline, Alkyl linked bis-ligand, Azocine
Chemical_Nomenclature : N-[4-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)butyl]-N-[3-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)propyl]-4-methylpentanamide || 4-Methyl-N-(4-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)pentanamide
Canonical SMILES : CC(C)CCC(=O)N(CCCCN=C1C2=CC=CC=C2N=C3N1CCCCCC3)CCCN=C4C5=CC=CC=C5N=C6N4CCCCCC6
InChI : InChI=1S\/C41H57N7O\/c1-32(2)24-25-39(49)46(29-17-27-43-41-34-19-10-12-21-36(34)45-38-23-8-4-6-15-31-48(38)41)28-16-13-26-42-40-33-18-9-11-20-35(33)44-37-22-7-3-5-14-30-47(37)40\/h9-12,18-21,32H,3-8,13-17,22-31H2,1-2H3
InChIKey : FWJHBDBMRLMYEQ-UHFFFAOYSA-N
Other name(s) : BDBM50336109 || 4-Methyl-N-(4-(8,9,10,11-tetrahydro-6H-azocino-[2,1-b]quinazolin-13(7H)-ylideneamino)butyl)-N-(3-(8,9,-10,11-tetrahydro-6H-azocino[2,1-b]quinazolin-13(7H)-ylideneamino)propyl)pentanamide || Compound 33
MW : 663.9
Formula : C41H57N7O
CAS_number :
PubChem : 53325469
UniChem : FWJHBDBMRLMYEQ-UHFFFAOYSA-N
Target
Families : CHEMBL1669464 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Probing the mid-gorge of cholinesterases with spacer-modified bivalent quinazolinimines leads to highly potent and selective butyrylcholinesterase inhibitors - Chen_2011_Bioorg.Med.Chem_19_1222 |
| Author(s) : Chen X , Tikhonova IG , Decker M |
| Ref : Bioorganic & Medicinal Chemistry , 19 :1222 , 2011 |
| Abstract : |
| PubMedSearch : Chen_2011_Bioorg.Med.Chem_19_1222 |
| PubMedID: 21232964 |