Foxy-5

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

Identification

Name
Foxy-5
Accession Number
DB13034
Type
Small Molecule
Groups
Investigational
Description

Foxy-5 has been used in trials studying the treatment of Prostate Cancer, Colorectal Cancer, Metastatic Colon Cancer, Metastatic Breast Cancer, and Metastatic Prostate Cancer.

Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
CBZ9UL0ARB
CAS number
881188-51-8
Weight
Average: 694.77
Monoisotopic: 694.230213164
Chemical Formula
C26H42N6O12S2
InChI Key
WFZPJYYCTSHDJI-ATIWLJMLSA-N
InChI
InChI=1S/C26H42N6O12S2/c1-13(2)8-17(26(43)44)32-24(41)15(4-5-20(35)36)30-25(42)18(11-45)29-19(34)10-27-22(39)16(9-21(37)38)31-23(40)14(28-12-33)6-7-46-3/h12-18,45H,4-11H2,1-3H3,(H,27,39)(H,28,33)(H,29,34)(H,30,42)(H,31,40)(H,32,41)(H,35,36)(H,37,38)(H,43,44)/t14-,15-,16-,17-,18-/m0/s1
IUPAC Name
(2S)-2-[(2S)-4-carboxy-2-[(2R)-2-{2-[(2S)-3-carboxy-2-[(2S)-2-formamido-4-(methylsulfanyl)butanamido]propanamido]acetamido}-3-sulfanylpropanamido]butanamido]-4-methylpentanoic acid
SMILES
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)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
44628955
PubChem Substance
347829167
ChemSpider
34979857
ChEBI
125492

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentColorectal Cancers / Metastatic Breast Cancer (MBC) / Prostate Cancer1
1RecruitingTreatmentMetastatic Breast Cancer (MBC) / Metastatic Colon Cancer / Metastatic Hormone Refractory Prostate Cancer1

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 Solubility0.033 mg/mLALOGPS
logP-0.64ALOGPS
logP-3.1ChemAxon
logS-4.3ALOGPS
pKa (Strongest Acidic)3.39ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area286.5 Å2ChemAxon
Rotatable Bond Count23ChemAxon
Refractivity162.76 m3·mol-1ChemAxon
Polarizability67.64 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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 oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Oligopeptides
Alternative Parents
Glutamic acid and derivatives / Aspartic acid and derivatives / Leucine and derivatives / Methionine and derivatives / N-acyl-L-alpha-amino acids / Alpha amino acid amides / Cysteine and derivatives / N-formyl-alpha amino acids / Tricarboxylic acids and derivatives / N-acyl amines
show 10 more
Substituents
Alpha-oligopeptide / Glutamic acid or derivatives / Methionine or derivatives / Aspartic acid or derivatives / Leucine or derivatives / N-acyl-alpha amino acid or derivatives / N-acyl-alpha-amino acid / N-acyl-l-alpha-amino acid / Alpha-amino acid amide / N-formyl-alpha-amino acid
show 25 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 20:15 / Updated on August 02, 2018 06:46