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
Structure for GW-274150 (DB12237)
- Weight
- Average: 219.3
Monoisotopic: 219.104147973 - Chemical Formula
- C8H17N3O2S
- Synonyms
- Not Available
- External IDs
- GW-274150
- GW274150
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- 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
- External Links
- PubChem Compound
- 9797017
- PubChem Substance
- 347828516
- ChemSpider
- 7972783
- BindingDB
- 50086467
- ChEMBL
- CHEMBL114551
- ZINC
- ZINC000002004483
Clinical Trials
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
Property Value Source Water Solubility 1.55 mg/mL ALOGPS logP -2.6 ALOGPS logP -2.7 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 2.15 Chemaxon pKa (Strongest Basic) 12.6 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 99.2 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 67.65 m3·mol-1 Chemaxon Polarizability 24.11 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-007o-9100000000-a45b4e4ce148c00e141b Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-3690000000-25493527a3fc268f214d Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-2910000000-f0d84f8cb1a80bede8c6 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-9300000000-0d3707351e3ade3aaef8 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0pw9-9700000000-c6566cb7a0edadb5a540 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-052o-9000000000-84368e2594587bf215a3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-e51832eac4e83d938cbd Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 145.7816 predictedDeepCCS 1.0 (2019) [M+H]+ 149.61995 predictedDeepCCS 1.0 (2019) [M+Na]+ 159.25066 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:41 / Updated at June 12, 2020 16:53