decynium 22

Ligand id: 8482

Name: decynium 22

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 7.12
Molecular weight 327.19
XLogP 7.96
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-ethyl-2-[(1-ethylquinolin-2-ylidene)methyl]quinolin-1-ium
Synonyms
1,1'-diethyl-2,2'-cyanine | Dy22 | GNF-Pf-1919 | GNF-Pf-4440 | NSC-97374
Database Links
ChEMBL Ligand CHEMBL1197556
PubChem CID 5484463
Search Google for chemical match using the InChIKey AGJZCWVTGOVGBS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AGJZCWVTGOVGBS
Search UniChem for chemical match using the InChIKey AGJZCWVTGOVGBS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AGJZCWVTGOVGBS
Comments
Decynium 22 (also used as the iodide salt) is a potent inhibitor of the plasma membrane monoamine transporter (PMAT aka NET4; SLC29A4) [4]. It is also reported to inhibit the organic action transporter OCT2 (SLC22A2) [2].