Identification

Generic Name
Glycinamide
DrugBank Accession Number
DB03636
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 74.0818
Monoisotopic: 74.048012824
Chemical Formula
C2H6N2O
Synonyms
  • Aminomethylamide
  • Glycine amide

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UNeutrophil collagenaseNot AvailableHumans
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
Adverseeffects
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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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group).
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboximidic acids and derivatives
Sub Class
Carboximidic acids
Direct Parent
Carboximidic acids
Alternative Parents
Organopnictogen compounds / Organooxygen compounds / Monoalkylamines / Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Amine / Carboximidic acid / Hydrocarbon derivative / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound / Organooxygen compound / Organopnictogen compound / Primary aliphatic amine
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
glycine derivative, amino acid amide (CHEBI:42843)
Affected organisms
Not Available

Chemical Identifiers

UNII
4JDT453NWO
CAS number
598-41-4
InChI Key
BEBCJVAWIBVWNZ-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)
IUPAC Name
2-aminoacetamide
SMILES
NCC(N)=O

References

General References
Not Available
Human Metabolome Database
HMDB0062472
PubChem Compound
69020
PubChem Substance
46506909
ChemSpider
62242
ChEBI
42843
ChEMBL
CHEMBL86954
ZINC
ZINC000035874641
PDBe Ligand
GM1
Wikipedia
Glycinamide
PDB Entries
3ajn / 7nus

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 Solubility544.0 mg/mLALOGPS
logP-2.5ALOGPS
logP-2ChemAxon
logS0.87ALOGPS
pKa (Strongest Acidic)16.37ChemAxon
pKa (Strongest Basic)8.15ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area69.11 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity17.83 m3·mol-1ChemAxon
Polarizability7.05 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9321
Blood Brain Barrier+0.9704
Caco-2 permeable-0.619
P-glycoprotein substrateNon-substrate0.648
P-glycoprotein inhibitor INon-inhibitor0.9391
P-glycoprotein inhibitor IINon-inhibitor0.993
Renal organic cation transporterNon-inhibitor0.9153
CYP450 2C9 substrateNon-substrate0.8973
CYP450 2D6 substrateNon-substrate0.8036
CYP450 3A4 substrateNon-substrate0.7666
CYP450 1A2 substrateNon-inhibitor0.6338
CYP450 2C9 inhibitorNon-inhibitor0.9651
CYP450 2D6 inhibitorNon-inhibitor0.9784
CYP450 2C19 inhibitorNon-inhibitor0.9553
CYP450 3A4 inhibitorNon-inhibitor0.9328
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9322
Ames testAMES toxic0.526
CarcinogenicityNon-carcinogens0.5736
BiodegradationNot ready biodegradable0.6803
Rat acute toxicity1.8646 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.989
hERG inhibition (predictor II)Non-inhibitor0.9722
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-MS (2 TMS)GC-MSsplash10-0udi-3900000000-2539519bfe43c84c88eb
GC-MS Spectrum - GC-MS (2 TMS)GC-MSsplash10-0fe0-3911000000-bc961d6504813cb6a235
GC-MS Spectrum - GC-MS (3 TMS)GC-MSsplash10-00dr-3900000000-edffb19ec1b3e35737c7
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Targets

Drugtargets2
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Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
Can degrade fibrillar type I, II, and III collagens.
Gene Name
MMP8
Uniprot ID
P22894
Uniprot Name
Neutrophil collagenase
Molecular Weight
53411.72 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52