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Profoxydim

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

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Data Packages
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Identification

Generic Name
Profoxydim
DrugBank Accession Number
DB14820
Background

Profoxydim is under investigation in clinical trial NCT02728011 (Pilot Trial Comparing Computerised Cognitive Exercises to Tetris in Adolescents With ADHD).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 466.03
Monoisotopic: 465.1740574
Chemical Formula
C24H32ClNO4S
Synonyms
  • TETRIS
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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
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
T7QYT6EW74
CAS number
139001-49-3
InChI Key
KRQUFUKTQHISJB-UHFFFAOYSA-N
InChI
InChI=1S/C24H32ClNO4S/c1-3-5-21(26-29-14-16(2)30-20-9-7-19(25)8-10-20)24-22(27)12-18(13-23(24)28)17-6-4-11-31-15-17/h7-10,16-18,27H,3-6,11-15H2,1-2H3
IUPAC Name
2-(1-{[2-(4-chlorophenoxy)propoxy]imino}butyl)-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one
SMILES
CCCC(=NOCC(C)OC1=CC=C(Cl)C=C1)C1=C(O)CC(CC1=O)C1CCCSC1

References

General References
Not Available
ChemSpider
16738652
ChEBI
144786

Clinical Trials

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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 Solubility0.00097 mg/mLALOGPS
logP5.18ALOGPS
logP5.94Chemaxon
logS-5.7ALOGPS
pKa (Strongest Acidic)5.24Chemaxon
pKa (Strongest Basic)1.66Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area68.12 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity127.47 m3·mol-1Chemaxon
Polarizability51.44 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
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/MSsplash10-0aps-0194000000-d5b361a75814806dabbb
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014r-0459800000-654442110a5b782330d8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-3191100000-87f39b576097e5fb8557
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014r-1492600000-9d767282a90b17be65d0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-3911100000-638cf85f24472ccb78c2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0929-3692100000-de9da800254239b2c0bc
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:28 / Updated at June 12, 2020 16:53