NAV

GW-559090

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
Similar Structures
Weight
Average: 596.681
Monoisotopic: 596.284614264
Chemical Formula
C31H40N4O8
Synonyms
Not Available
External IDs
  • GW-559090
  • GW-559090(FREE ACID)
  • GW559090
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Investigated for use/treatment in asthma and allergic rhinitis.

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
ChemSpider
7985272
ZINC
ZINC000003976535

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.00604 mg/mLALOGPS
logP2.49ALOGPS
logP2.63Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)3.48Chemaxon
pKa (Strongest Basic)-1.5Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area177.36 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity156.34 m3·mol-1Chemaxon
Polarizability61.45 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, Negative (Annotated)Predicted LC-MS/MSsplash10-005c-0203900000-af074896596ffaaf771d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-003j-1843970000-683ddacf1f3dce5d48fe
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a7l-2705900000-e4b9b6df0fba2ef5a566
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ti-4900100000-55134aeaa3b9d104cf71
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-3904330000-2f667d462bf113c0652d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000f-9501010000-0b7160557be95fd12665
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 19, 2008 16:35 / Updated at June 12, 2020 16:52