NAV

Ganglioside GM1

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Ganglioside GM1
DrugBank Accession Number
DB16948
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 1546.841
Monoisotopic: 1545.87665445
Chemical Formula
C73H131N3O31
Synonyms
  • Ganglioside gm1 (d18:1/18:0)
  • Monosialotetrahexosyl ganglioside (GM1)
  • Monosialotetrahexosylganglioside
  • Monosialotetrahexosylganglioside (d18:1/18:0)
  • Porcine GM1 ganglioside
External IDs
  • GM1 D18:1/18:0
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
562413257Z
CAS number
116950-37-9
InChI Key
QPJBWNIQKHGLAU-IQZHVAEDSA-N
InChI
InChI=1S/C73H131N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-98-69-61(94)59(92)63(50(39-80)101-69)103-71-62(95)67(107-73(72(96)97)35-46(85)53(74-42(3)82)66(106-73)55(88)47(86)36-77)64(51(40-81)102-71)104-68-54(75-43(4)83)65(57(90)49(38-79)99-68)105-70-60(93)58(91)56(89)48(37-78)100-70/h31,33,44-51,53-71,77-81,84-86,88-95H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)(H,96,97)/b33-31+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63+,64-,65+,66+,67+,68-,69+,70-,71-,73-/m0/s1
IUPAC Name
(2S,4S,5R,6R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILES
[H][C@@]1(O[C@H]2[C@@H](O)[C@@H](CO)O[C@@]([H])(O[C@H]3[C@@H](CO)O[C@@]([H])(O[C@H]4[C@H](O)[C@@H](O)[C@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]4CO)[C@H](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

References

General References
Not Available
ChemSpider
8139557
ChEBI
61048
Wikipedia
GM1

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedPreventionChemotherapy Induced Neutropenia / Colorectal Cancer1
3RecruitingTreatmentBrain Metastases / Breast Cancer / Cognitive Impairment (CI) / Gangliosidosis, GM1 / Radiotherapy Side Effects1
3Unknown StatusPreventionColorectal Cancer1
3Unknown StatusPreventionGastric Cancer1
3Unknown StatusTreatmentNon-Small Cell Lung Cancer (NSCLC)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.198 mg/mLALOGPS
logP2.12ALOGPS
logP1.98Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)2.8Chemaxon
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count31Chemaxon
Hydrogen Donor Count20Chemaxon
Polar Surface Area540.58 Å2Chemaxon
Rotatable Bond Count52Chemaxon
Refractivity376 m3·mol-1Chemaxon
Polarizability168.81 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 14, 2022 18:59 / Updated at July 18, 2023 22:58