GW-559090
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- GW-559090
- DrugBank Accession Number
- DB06508
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 596.681
Monoisotopic: 596.284614264 - Chemical Formula
- C31H40N4O8
- Synonyms
- Not Available
- External IDs
- GW-559090
- GW-559090(FREE ACID)
- GW559090
Pharmacology
- Indication
Investigated for use/treatment in asthma and allergic rhinitis.
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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
- 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 dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Dipeptides
- Alternative Parents
- Phenylalanine and derivatives / Leucine and derivatives / N-acyl-L-alpha-amino acids / Alpha amino acid amides / Phenylpropanoic acids / Amphetamines and derivatives / Piperidinecarboxylic acids / Piperidinecarboxamides / Phenoxy compounds / Phenol ethers show 13 more
- Substituents
- 3-phenylpropanoic-acid / Alkyl aryl ether / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-dipeptide / Amphetamine or derivatives / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Carbamic acid ester show 30 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- H9W4YH429K
- CAS number
- 278598-52-0
- InChI Key
- RZMCXMNNXGCFQG-DQEYMECFSA-N
- InChI
- InChI=1S/C31H40N4O8/c1-19(2)16-24(33-27(36)18-42-26-7-5-4-6-20(26)3)29(38)34-25(30(39)40)17-21-8-10-23(11-9-21)43-31(41)35-14-12-22(13-15-35)28(32)37/h4-11,19,22,24-25H,12-18H2,1-3H3,(H2,32,37)(H,33,36)(H,34,38)(H,39,40)/t24-,25-/m0/s1
- IUPAC Name
- (2S)-3-[4-(4-carbamoylpiperidine-1-carbonyloxy)phenyl]-2-[(2S)-4-methyl-2-[2-(2-methylphenoxy)acetamido]pentanamido]propanoic acid
- SMILES
- CC(C)C[C@H](NC(=O)COC1=CC=CC=C1C)C(=O)N[C@@H](CC1=CC=C(OC(=O)N2CCC(CC2)C(N)=O)C=C1)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 7985272
- ZINC
- ZINC000003976535
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.00604 mg/mL ALOGPS logP 2.49 ALOGPS logP 2.63 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 3.48 Chemaxon pKa (Strongest Basic) -1.5 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 177.36 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 156.34 m3·mol-1 Chemaxon Polarizability 61.45 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at March 19, 2008 16:35 / Updated at June 12, 2020 16:52