QGC-001

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

Identification

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Name
QGC-001
Accession Number
DB13107
Type
Small Molecule
Groups
Investigational
Description

QGC001 has been used in trials studying the treatment of Essential Hypertension.

Structure
Thumb
Synonyms
Not Available
External IDs
QGC001 / RB-150
Categories
UNII
638KY4573I
CAS number
648927-86-0
Weight
Average: 368.5
Monoisotopic: 368.020421068
Chemical Formula
C8H20N2O6S4
InChI Key
HJPXZXVKLGEMGP-YUMQZZPRSA-N
InChI
InChI=1S/C8H20N2O6S4/c9-7(1-3-19(11,12)13)5-17-18-6-8(10)2-4-20(14,15)16/h7-8H,1-6,9-10H2,(H,11,12,13)(H,14,15,16)/t7-,8-/m0/s1
IUPAC Name
(3S)-3-amino-4-{[(2S)-2-amino-4-sulfobutyl]disulfanyl}butane-1-sulfonic acid
SMILES
N[C@@H](CCS(O)(=O)=O)CSSC[C@@H](N)CCS(O)(=O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
24851355
PubChem Substance
347829231
ChemSpider
30649361

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHypertension,Essential2
1RecruitingBasic ScienceHealthy Males1
2CompletedTreatmentHigh Blood Pressure (Hypertension)1
2CompletedTreatmentHypertension,Essential1
2Not Yet RecruitingTreatmentMyocardial Infarction1
2TerminatedTreatmentHeart Failure1

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 Solubility1.62 mg/mLALOGPS
logP-2.2ALOGPS
logP-4.5ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)-1.3ChemAxon
pKa (Strongest Basic)10.19ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area160.78 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity81.66 m3·mol-1ChemAxon
Polarizability35.23 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Sub Class
Organosulfonic acids and derivatives
Direct Parent
Organosulfonic acids
Alternative Parents
Sulfonyls / Alkanesulfonic acids / Dialkyldisulfides / Sulfenyl compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives
Substituents
Organosulfonic acid / Sulfonyl / Alkanesulfonic acid / Organic disulfide / Dialkyldisulfide / Sulfenyl compound / Amine / Hydrocarbon derivative / Organic oxide / Organic oxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 21:12 / Updated on November 02, 2018 07:34