NAV

GW-274150

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

Identification

Generic Name
GW-274150
DrugBank Accession Number
DB12237
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 219.3
Monoisotopic: 219.104147973
Chemical Formula
C8H17N3O2S
Synonyms
Not Available
External IDs
  • GW-274150
  • GW274150
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Chemical TaxonomyProvided by Classyfire
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
Aliphatic acyclic compound / Amidine / Amine / Amino acid / Carbonyl group / Carboximidamide / Carboxylic acid / Carboxylic acid amidine / Dialkylthioether / Fatty acid
show 18 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0ZZF1V8G63
CAS number
210354-22-6
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

References

General References
Not Available
PubChem Compound
9797017
PubChem Substance
347828516
ChemSpider
7972783
BindingDB
50086467
ChEMBL
CHEMBL114551
ZINC
ZINC000002004483

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedPreventionMigraine1
2CompletedTreatmentMigraine1
2CompletedTreatmentRheumatoid Arthritis2
1CompletedTreatmentAsthma1

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
Polarizability24.11 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-MSsplash10-007o-9100000000-a45b4e4ce148c00e141b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-3690000000-25493527a3fc268f214d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-2910000000-f0d84f8cb1a80bede8c6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-9300000000-0d3707351e3ade3aaef8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0pw9-9700000000-c6566cb7a0edadb5a540
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-052o-9000000000-84368e2594587bf215a3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-e51832eac4e83d938cbd
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-145.7816
predicted
DeepCCS 1.0 (2019)
[M+H]+149.61995
predicted
DeepCCS 1.0 (2019)
[M+Na]+159.25066
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:41 / Updated at June 12, 2020 16:53