GSK-2330672

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-2330672
Accession Number
DB11729
Type
Small Molecule
Groups
Investigational
Description

GSK2330672 has been investigated for the treatment of Diabetes Mellitus, Type 2.

Structure
Thumb
Synonyms
Not Available
External IDs
GSK2330672
Categories
UNII
386012Z45S
CAS number
1345982-69-5
Weight
Average: 546.68
Monoisotopic: 546.239972746
Chemical Formula
C28H38N2O7S
InChI Key
CZGVOBIGEBDYTP-VSGBNLITSA-N
InChI
InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1
IUPAC Name
3-({[(3R,5R)-3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1lambda6,4-benzothiazepin-8-yl]methyl}amino)pentanedioic acid
SMILES
CCCC[C@]1(CC)CS(=O)(=O)C2=CC(CNC(CC(O)=O)CC(O)=O)=C(OC)C=C2[C@H](N1)C1=CC=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
53492727
PubChem Substance
347828088
ChemSpider
30825906
BindingDB
47370
ChEMBL
CHEMBL2387408

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceType 2 Diabetes Mellitus1
1CompletedTreatmentType 2 Diabetes Mellitus1
2CompletedTreatmentIntrahepatic Cholestasis1
2CompletedTreatmentType 2 Diabetes Mellitus2
2RecruitingTreatmentCholestasis1

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 Solubility0.00735 mg/mLALOGPS
logP0.8ALOGPS
logP-0.74ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)2.02ChemAxon
pKa (Strongest Basic)8.41ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area142.03 Å2ChemAxon
Rotatable Bond Count13ChemAxon
Refractivity143.38 m3·mol-1ChemAxon
Polarizability58.37 Å3ChemAxon
Number of Rings3ChemAxon
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 benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzothiazepines
Sub Class
Not Available
Direct Parent
Benzothiazepines
Alternative Parents
Anisoles / Aralkylamines / Amino fatty acids / Alkyl aryl ethers / Dicarboxylic acids and derivatives / Benzene and substituted derivatives / Sulfones / Amino acids / Dialkylamines / Carboxylic acids
show 4 more
Substituents
Benzothiazepine / Anisole / Phenol ether / Alkyl aryl ether / Amino fatty acid / Aralkylamine / Monocyclic benzene moiety / Dicarboxylic acid or derivatives / Benzenoid / Fatty acyl
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:42 / Updated on June 04, 2019 07:26