General
Preferred name
decynium 22
Synonyms
1,1'-Diethyl-2,2'-cyanine iodide ()
Diethylcyanine iodide ()
Eastman 7851 ()
Pseudoisocyanine (iodide) ()
Decynium-22 ()
P&D ID
PD079751
CAS
977-96-8
188653-03-4
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Decynium 22 is a potent inhibitor of PMAT and has been found to exhibit activities in inducing apoptosis in cerebellar granule neurons (CGNs). (BOC Sciences Bioactive Compounds)
Compound Sets
7
BOC Sciences Bioactive Compounds
decynium-22-cas-977-96-8-item-46289
Cayman Chemical Bioactives
29494
CZ-OPENSCREEN Bioactive Library
DrugMAP
DMWCTZ7
EU-OPENSCREEN Bioactive Compound Library
EOS102018
MedChem Express Bioactive Compound Library
HY-107740
TargetMol Bioactive Compound Library
T22714
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
454.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
2.05
TPSA
7.12
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.43
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
plasma membrane monoamine transporter
Dopamine Transporter
Monoamine transporter
Serotonin Transporter
Pathway
Membrane Transporter/Ion Channel
Neuronal Signaling
Source data