NAV

Foxy-5

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

Identification

Generic Name
Foxy-5
DrugBank Accession Number
DB13034
Background

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.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 694.77
Monoisotopic: 694.230213164
Chemical Formula
C26H42N6O12S2
Synonyms
Not Available
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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
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
Not Available
Chemical TaxonomyProvided by Classyfire
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
Aliphatic acyclic compound / Alkylthiol / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Aspartic acid or derivatives / Carbonyl group / Carboxamide group / Carboxylic acid / Cysteine or derivatives
show 25 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
CBZ9UL0ARB
CAS number
881188-51-8
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

References

General References
Not Available
PubChem Compound
44628955
PubChem Substance
347829167
ChemSpider
34979857
ChEBI
125492
ZINC
ZINC000068077856

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentColon Cancer1
1CompletedTreatmentColorectal Cancer / Metastatic Breast Cancer / Prostate Cancer1
1CompletedTreatmentMetastatic Breast Cancer / Metastatic Colon Cancer / Metastatic 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/MSsplash10-0002-0000009000-7fa69fa0ca4db85749d7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00mo-0100129000-335311f0e9cbf6353f94
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00nf-0302449000-8d11811b8e4a93ef556b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0gc0-1000129000-ee9d56a4b9df648ba4af
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dr-9200542000-491cb763179e70e4ecb1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-9121021000-496b9251e69c9d210cb7
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-250.05998
predicted
DeepCCS 1.0 (2019)
[M+H]+251.88487
predicted
DeepCCS 1.0 (2019)
[M+Na]+257.60428
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:15 / Updated at June 12, 2020 16:53