CHEMBL213889
IC50 AChE 14.4 microM BuChE 0.076 microM
General
Type : Quinazoline, Alkyl linked bis-ligand, Azocine
Chemical_Nomenclature : N-[8-(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylideneamino)octyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-imine
Canonical SMILES : C1CCCN2C(=NC3=CC=CC=C3C2=NCCCCCCCCN=C4C5=CC=CC=C5N=C6N4CCCCCC6)CC1
InChI : InChI=1S\/C36H48N6\/c1(5-15-25-37-35-29-19-11-13-21-31(29)39-33-23-9-3-7-17-27-41(33)35)2-6-16-26-38-36-30-20-12-14-22-32(30)40-34-24-10-4-8-18-28-42(34)36\/h11-14,19-22H,1-10,15-18,23-28H2
InChIKey : IMQLTHGMTZPIHZ-UHFFFAOYSA-N
Other name(s) : CHEMBL1669455 || BDBM50194106 || (N1Z,N8Z)-N1,N8-bis(6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazolin-13-ylidene)octane-1,8-diamine || N,N''-bis[6,7,8,9,10,11-hexahydro-13H-azocino[2,1-b]quinazolin-13-ylidene]octane-1,8-diaminez
Target
Families : CHEMBL213889 ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Homobivalent quinazolinimines as novel nanomolar inhibitors of cholinesterases with dirigible selectivity toward butyrylcholinesterase - Decker_2006_J.Med.Chem_49_5411 |
| Author(s) : Decker M |
| Ref : Journal of Medicinal Chemistry , 49 :5411 , 2006 |
| Abstract : |
| PubMedSearch : Decker_2006_J.Med.Chem_49_5411 |
| PubMedID: 16942014 |