GW-274150

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

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
GW-274150
Accession Number
DB12237
Type
Small Molecule
Groups
Investigational
Description

GW274150 has been used in trials studying the treatment and prevention of Asthma, Migraine, Migraine Disorders, and Arthritis, Rheumatoid.

Structure
Thumb
Synonyms
Not Available
External IDs
GW274150
Categories
UNII
0ZZF1V8G63
CAS number
210354-22-6
Weight
Average: 219.3
Monoisotopic: 219.104147973
Chemical Formula
C8H17N3O2S
InChI Key
MOLOJNHYNHBPCW-ZETCQYMHSA-N
InChI
InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
IUPAC Name
(2S)-2-amino-4-[(2-ethanimidamidoethyl)sulfanyl]butanoic acid
SMILES
CC(=N)NCCSCC[C@H](N)C(O)=O

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
9797017
PubChem Substance
347828516
ChemSpider
7972783
BindingDB
50086467
ChEMBL
CHEMBL114551

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAsthma Bronchial1
2CompletedPreventionMigraine Disorders1
2CompletedTreatmentMigraine / Migraine Disorders1
2CompletedTreatmentRheumatoid Arthritis2

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 Solubility1.55 mg/mLALOGPS
logP-2.6ALOGPS
logP-2.7ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)2.15ChemAxon
pKa (Strongest Basic)12.6ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area99.2 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity67.65 m3·mol-1ChemAxon
Polarizability23.94 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 l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
L-alpha-amino acids
Alternative Parents
Thia fatty acids / Amino acids / Sulfenyl compounds / Propargyl-type 1,3-dipolar organic compounds / Monocarboxylic acids and derivatives / Dialkylthioethers / Carboxylic acids / Carboximidamides / Carboxamidines / Organopnictogen compounds
show 4 more
Substituents
L-alpha-amino acid / Thia fatty acid / Fatty acid / Fatty acyl / Amino acid / Amidine / Carboxylic acid amidine / Carboxylic acid / Monocarboxylic acid or derivatives / Thioether
show 18 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:41 / Updated on November 02, 2018 07:21