General
Preferred name
Solamargine
Synonyms
¦Ä-Solanigrine ()
Solamargin ()
δ-Solanigrine ()
??Solanigrine ()
P&D ID
PD012308
CAS
20311-51-7
Tags
available
drug candidate
Drug Status
investigational
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 Solamargine, a derivative from the steroidal solasodine in Solanum species, exhibits anticancer activities in numerous types of cancer. Solamargine induces non-selective cytotoxicity and P-glycoprotein inhibition. Solamargine significantly inhibits migration and invasion of HepG2 cells by down-regulating MMP-2 and MMP-9 expression and activity[1][2].
PRICE 268
DESCRIPTION Solamargine (??-Solanigrine) is a major steroidal alkaloid glycoside extracted from a traditional Chinese medicine herb, Solanum nigrum L. (SNL); has been shown to inhibit growth and induce apoptosis of various cancer cells.
DESCRIPTION Solamargine (δ-Solanigrine) is a major steroidal alkaloid glycoside extracted from a traditional Chinese medicine herb, Solanum nigrum L. (SNL); has been shown to inhibit growth and induce apoptosis of various cancer cells. (TargetMol Bioactive Compound Library)
Cell lines
6
Organisms
0
Compound Sets
5
Cayman Chemical Bioactives
28110
DrugBank
DB12700
MedChem Express Bioactive Compound Library
HY-N0069
Selleckchem Bioactive Compound Library
solamargine
TargetMol Bioactive Compound Library
T4034
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
867.5
Hydrogen Bond Acceptors
16
Hydrogen Bond Donors
9
Rotatable Bonds
7
Ring Count
9
Aromatic Ring Count
0
cLogP
0.81
TPSA
238.48
Fraction CSP3
0.96
Chiral centers
26.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
P-gp (P-glycoprotein)
p38 MAPK
STAT3
P-glycoprotein
P-gp
Pathway
JAK/STAT Signaling
MAPK
Membrane Transporter/Ion Channel
Neuroscience
Stem Cells
Source data