NAV

GSK-376501

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

Identification

Generic Name
GSK-376501
DrugBank Accession Number
DB12654
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 531.649
Monoisotopic: 531.262087915
Chemical Formula
C32H37NO6
Synonyms
Not Available
External IDs
  • GSK-376501A
  • GSK376501
  • GSK376501A
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
Chemical TaxonomyProvided by Classyfire
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
3-phenylpyrrole / Alkyl aryl ether / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxylic acid / Carboxylic acid derivative / Dialkyl ether / Ether / Heteroaromatic compound
show 17 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7511RY999U
CAS number
1010412-80-2
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

References

General References
Not Available
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/MSsplash10-001i-3730290000-d981eb796241143a5050
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004l-0000900000-2145c955ad2bbc77e104
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0000900000-ffc7029e6b4d671bbdc5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-067i-0710940000-2b4e0540ee16044de6b4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gxx-0000900000-403e30ba31e992be77a9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aor-0110900000-ea527de80517e000eeeb
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-225.05989
predicted
DeepCCS 1.0 (2019)
[M+H]+227.45546
predicted
DeepCCS 1.0 (2019)
[M+Na]+233.368
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:27 / Updated at June 12, 2020 16:53