CHEMBL467760
IC50 BChE 0.045 microM IC50 AChE 0.05 microM
General
Type : Quinazoline, Alkyl linked bis-ligand, Derivative of Amiridine, Organochlorine
Chemical_Nomenclature : 6-chloro-N-[8-[(6-chloro-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-ylidene)amino]octyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-imine
Canonical SMILES : C1CC2=NC3=C(C=CC(=C3)Cl)C(=NCCCCCCCCN=C4C5=C(C=C(C=C5)Cl)N=C6N4CCC6)N2C1
InChI : InChI=1S\/C30H34Cl2N6\/c31-21-11-13-23-25(19-21)35-27-9-7-17-37(27)29(23)33-15-5-3-1-2-4-6-16-34-30-24-14-12-22(32)20-26(24)36-28-10-8-18-38(28)30\/h11-14,19-20H,1-10,15-18H2
InChIKey : WHHZVFMOVGVTHG-UHFFFAOYSA-N
Other name(s) : BDBM50261259 || (N1Z,N8Z)-N1,N8-bis(6-chloro-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-ylidene)octane-1,8-diamine
MW : 549.5
Formula : C30H34Cl2N6
CAS_number :
PubChem : 16082589
UniChem : WHHZVFMOVGVTHG-UHFFFAOYSA-N
Target
Families : CHEMBL467760 ligand of proteins in family
BCHE
ACHE
Protein :
human-BCHE
human-ACHE
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 |