MetaADEDB 2.0 @ LMMD
3-N-1(spermine)-7, 24-dihydroxy-5-cholestane 24-sulfate
(WUJVPODXELZABP-FWJXURDUSA-N)
Structure
SMILES
NCCCNCCCCNCCCN[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)OS(=O)(=O)O)C)C)O)C
Type(s)
Investigational
Molecular Formula:
C37H72N4O5S
Molecular Weight:
685.056
Log P:
8.4867
Hydrogen Bond Acceptor:
9
Hydrogen Bond Donor:
6
TPSA:
154.32
CAS Number(s):
186139-09-3
Synonym(s)
1.
3-N-1(spermine)-7, 24-dihydroxy-5-cholestane 24-sulfate
2.
3beta-N-1(spermine)-7alpha, 24R-dihydroxy-5alpha-cholestane 24-sulfate
3.
MSI 1436
4.
MSI1436
5.
trodusquemine
External Link(s)
MeSHC441128
PubChem Compound9917968
BindingDB50333649
CHEMBLCHEMBL508583
DrugBankDB06333
IUPHAR/BPS Guide to PHARMACOLOGY9733
KEGGdr:D06252
Therapeutic Target DatabaseD0O3QW
ZINC49833385
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Obesity20075852
24287560
CTD
2Plaque, Atherosclerotic28899902CTD
3Weight Gain20075852
28899902
CTD
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