GPX-150

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

Identification

Name
GPX-150
Accession Number
DB13103
Type
Small Molecule
Groups
Investigational
Description

GPX-150 has been used in trials studying the treatment of Soft Tissue Sarcoma and Advanced Solid Tumors - Phase 1 Population.

Structure
Thumb
Synonyms
Not Available
External IDs
GPX150
Categories
UNII
7W3RB6E22W
CAS number
236095-29-7
Weight
Average: 542.541
Monoisotopic: 542.190045174
Chemical Formula
C27H30N2O10
InChI Key
UNNWAMSRSUVXCZ-PNISCQLKSA-N
InChI
InChI=1S/C27H30N2O10/c1-10-23(32)13(28)6-17(38-10)39-15-8-27(36,16(31)9-30)7-12-19(15)26(35)20-21(25(12)34)24(33)11-4-3-5-14(37-2)18(11)22(20)29/h3-5,10,13,15,17,23,29-30,32,34-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,23+,27-/m0/s1
IUPAC Name
(8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-12-imino-1-methoxy-5,7,8,9,10,12-hexahydrotetracen-5-one
SMILES
COC1=C2C(=N)C3=C(O)C4=C(C[C@](O)(C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(=O)CO)C(O)=C3C(=O)C2=CC=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10392558
PubChem Substance
347829227
ChemSpider
32701310

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Solid Tumors - Phase 1 Population1
2CompletedTreatmentSoft Tissue Sarcoma (STS)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 Solubility0.331 mg/mLALOGPS
logP0.82ALOGPS
logP-0.099ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)8.1ChemAxon
pKa (Strongest Basic)9.36ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area212.85 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity147.07 m3·mol-1ChemAxon
Polarizability54.93 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
Aminoglycosides
Alternative Parents
Anthracenes / Hexoses / O-glycosyl compounds / Tetralins / Anisoles / Aryl ketones / P-quinonimines / Alkyl aryl ethers / Oxanes / Tertiary alcohols
show 13 more
Substituents
Aminoglycoside core / Anthracene / Hexose monosaccharide / Glycosyl compound / O-glycosyl compound / Tetralin / Anisole / Aryl ketone / Quinonimine / P-quinonimine
show 29 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 21:06 / Updated on November 02, 2018 07:34