General
Preferred name
SPERMINE
Synonyms
SPERMINE TETRAHYDROCHLORIDE ()
Neuridine ()
NSC 268508 ()
4,9-Diaza-1,12-dodecanediamine ()
Gerontine ()
Musculamine ()
Gerontine tetrahydrochloride ()
Neuridine tetrahydrochloride ()
Musculamine tetrahydrochloride ()
Spermine?Tetrahydrochloride ()
Spermine (tetrahydrochloride) ()
Gerontine tetrahydrochloride, Neuridine tetrahydrochloride, Musculamine tetrahydrochloride ()
NSC-268508 ()
Gerotine ()
Actilip sp-91 ()
4,9-diazadodecamethylenediamine ()
P&D ID
PD000288
CAS
29605-46-7
115-04-8
306-67-2
71-44-3
Tags
available
biased GPCR ligand
probe
drug candidate
Drug Status
experimental
investigational
nutraceutical
Max Phase
0.5
Probe info
Probe selectivity
protein-selective
Probe type
calculated probe
Probe sources
Probe Miner (suitable probes)
Probe targets
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 Spermine is an endogenous polyamine derived from spermidine. Spermine acts as an inhibitor of nNOS, and an antagonist of NMDA glutamate receptor. (BOC Sciences Bioactive Compounds)
DESCRIPTION Inhibits AMPA desensitization (Tocris Bioactive Compound Library)
DESCRIPTION Binds to the polyamine modulatory site of the NMDA glutamate receptor, attenuating both NMDA and quisqualate mediated responses in vivo. (LOPAC library)
DESCRIPTION Spermine tetrahydrochloride is a polyamine that binds to and modulates NMDA receptor channel. Spermine also acts as a GluR inhibitor, PLCĪ± inhibitor and PLCĪ“ activator. (BOC Sciences Bioactive Compounds)
Cell lines
6
Organisms
0
Compound Sets
26
BiasDB
Spermine
BOC Sciences Bioactive Compounds
spermine-cas-71-44-3-item-97461
spermine-tetrahydrochloride-cas-306-67-2-149957
Cayman Chemical Bioactives
18041
ChEMBL Drugs
CHEMBL23194
Concise Guide to Pharmacology 2017/18
710
Concise Guide to Pharmacology 2019/20
710
Concise Guide to Pharmacology 2021/22
710
Concise Guide to Pharmacology 2023/24
710
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB00127
DrugMAP
DMD4BFY
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS100775
Guide to Pharmacology
710
Ki Database
Spermine
LOPAC library
MedChem Express Bioactive Compound Library
HY-B1777
HY-B1777A
NIH Mechanistic Set
Other bioactive compounds
Probe Miner (suitable probes)
P22748/33666
ReFrame library
Selleckchem Bioactive Compound Library
spermine
spermine-tetrahydrochloride
TargetMol Bioactive Compound Library
T3007
T3093
The Spectrum Collection
Tocris Bioactive Compound Library
0958
External IDs
63
Properties
(calculated by RDKit )
Molecular Weight
202.22
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
11
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.36
TPSA
76.1
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
NMDA-Polyamine
Pathway
Metabolism
Metabolic Enzyme/Protease
Anti-infection
Target
Endogenous Metabolite
CA14, CA4, CA6, CA9, CASR, GRIN1, GRIN2A, KCNJ4, ODC1, SMOX, SMS, TRPM4, TRPM5
Influenza Virus
Primary Target
NMDA Receptors
Solubility
In vitro:<br/>10 mM in DMSO
Source data