Glycinamid

Identification

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Name
Glycinamid
Accession Number
DB03636  (EXPT01617)
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
Not Available
UNII
4JDT453NWO
CAS number
Not Available
Weight
Average: 74.0818
Monoisotopic: 74.048012824
Chemical Formula
C2H6N2O
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0062472
PubChem Compound
69020
PubChem Substance
46506909
ChemSpider
62242
ChEBI
42843
ChEMBL
CHEMBL86954
HET
GM1
PDB Entries
3ajn

Clinical Trials

Clinical Trials
Not Available

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

Taxonomy

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
Carboximidic acid / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Hydrocarbon derivative / Primary amine / Organooxygen compound / Organonitrogen compound / Primary aliphatic amine / Amine
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
glycine derivative, amino acid amide (CHEBI:42843)

Targets

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. [PubMed:17139284]
  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. [PubMed:17016423]

Drug created on June 13, 2005 07:24 / Updated on December 02, 2019 06:37