GSK-376501

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
GSK-376501
Accession Number
DB12654
Type
Small Molecule
Groups
Investigational
Description

GSK376501 has been used in trials studying the treatment and diagnostic of Type 2 Diabetes Mellitus.

Structure
Thumb
Synonyms
Not Available
External IDs
GSK-376501A / GSK376501 / GSK376501A
Categories
Not Available
UNII
7511RY999U
CAS number
1010412-80-2
Weight
Average: 531.649
Monoisotopic: 531.262087915
Chemical Formula
C32H37NO6
InChI Key
OIDYMQICWGYEDR-UHFFFAOYSA-N
InChI
InChI=1S/C32H37NO6/c1-32(2,3)24-12-10-23(11-13-24)29-27-8-6-7-9-28(27)33(30(29)31(34)35)21-22-18-25(38-16-14-36-4)20-26(19-22)39-17-15-37-5/h6-13,18-20H,14-17,21H2,1-5H3,(H,34,35)
IUPAC Name
1-{[3,5-bis(2-methoxyethoxy)phenyl]methyl}-3-(4-tert-butylphenyl)-1H-indole-2-carboxylic acid
SMILES
COCCOC1=CC(OCCOC)=CC(CN2C3=CC=CC=C3C(=C2C(O)=O)C2=CC=C(C=C2)C(C)(C)C)=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
24946920
PubChem Substance
347828859
ChemSpider
32698223

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedDiagnosticType 2 Diabetes Mellitus2
1CompletedTreatmentType 2 Diabetes Mellitus2

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 Solubility0.000129 mg/mLALOGPS
logP5.77ALOGPS
logP6.38ChemAxon
logS-6.6ALOGPS
pKa (Strongest Acidic)4.69ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area79.15 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity152.6 m3·mol-1ChemAxon
Polarizability59.87 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Indolecarboxylic acids and derivatives
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
Phenylpyrroles / N-alkylindoles / Phenylpropanes / Indoles / Pyrrole 2-carboxylic acids / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Heteroaromatic compounds / Dialkyl ethers
show 5 more
Substituents
Indolecarboxylic acid derivative / 3-phenylpyrrole / N-alkylindole / Indole / Phenylpropane / Phenoxy compound / Phenol ether / Pyrrole-2-carboxylic acid or derivatives / Pyrrole-2-carboxylic acid / Alkyl aryl ether
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:27 / Updated on June 04, 2019 07:41