Methamidophos

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

Identification

Generic Name
Methamidophos
DrugBank Accession Number
DB14972
Background

Methamidophos is under investigation in clinical trial NCT03223753 (Web-Based Physical Activity Intervention in Improving Long Term Health in Children and Adolescents With Newly Diagnosed Acute Lymphoblastic Leukemia in First Remission).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 141.129
Monoisotopic: 141.001335707
Chemical Formula
C2H8NO2PS
Synonyms
  • MONITOR

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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8Z083FM94W
CAS number
10265-92-6
InChI Key
NNKVPIKMPCQWCG-UHFFFAOYSA-N
InChI
InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
IUPAC Name
[methoxy(methylsulfanyl)phosphoryl]amine
SMILES
COP(N)(=O)SC

References

General References
Not Available
Human Metabolome Database
HMDB0031803
KEGG Compound
C18667
ChemSpider
3954
BindingDB
50027341
ChEBI
38721
ChEMBL
CHEMBL504888
Wikipedia
Methamidophos

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility30.6 mg/mLALOGPS
logP-0.94ALOGPS
logP-0.32Chemaxon
logS-0.66ALOGPS
pKa (Strongest Acidic)15.57Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area52.32 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity31.68 m3·mol-1Chemaxon
Polarizability12.07 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-08i4-9300000000-56d4e3bc363cce753683
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-9800000000-c4ebfaca051bddb6a185
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-d851d0ef0fac9ef9b93b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9400000000-2e633549cdc978d591d1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-09d43efa324a9cb640e3
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01r2-9000000000-3d3587587132541aae10
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-a584ff03b51712218e05
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-123.3687764
predicted
DarkChem Lite v0.1.0
[M-H]-119.49635
predicted
DeepCCS 1.0 (2019)
[M+H]+121.57859
predicted
DeepCCS 1.0 (2019)
[M+Na]+129.98738
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 14:38 / Updated at June 12, 2020 16:53