decynium 22

Ligand id: 8482

Name: decynium 22

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 8.81
Molecular weight 327.19
XLogP 8.64
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
1,1'-diethyl-2,2'-cyanine | D-22 | decynium-22 | Dy22 | GNF-Pf-1919 | GNF-Pf-4440 | NSC-97374 | pseudoisocyanine
Comments
Decynium 22 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]. Strictly, decynium 22 refers to the iodide salt (PubChem CID 5484462), but we show the parent molecule in this ligand entry.
Database Links
ChEMBL Ligand CHEMBL1197556
GtoPdb PubChem SID 252166690
PubChem CID 75463
Search Google for chemical match using the InChIKey AGJZCWVTGOVGBS-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey AGJZCWVTGOVGBS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AGJZCWVTGOVGBS