NAV

ABH001

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

Identification

Generic Name
ABH001
DrugBank Accession Number
DB16177
Background

ABH001 is under investigation in clinical trial NCT01749306 (A Study of the Efficacy and Safety of ABH001 in the Treatment of Patients With Epidermolysis Bullosa Who Have Wounds That Are Not Healing).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 116.072
Monoisotopic: 116.010958609
Chemical Formula
C4H4O4
Synonyms
  • Glycolide
External IDs
  • ABH001
  • NSC-403079
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
YRZ676PGU6
CAS number
502-97-6
InChI Key
RKDVKSZUMVYZHH-UHFFFAOYSA-N
InChI
InChI=1S/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2
IUPAC Name
1,4-dioxane-2,5-dione
SMILES
O=C1COC(=O)CO1

References

General References
Not Available
ChemSpider
58895
RxNav
1540882
ZINC
ZINC000004284649

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentEpidermolysis Bullosa (EB)1

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 Solubility568.0 mg/mLALOGPS
logP-0.67ALOGPS
logP-0.75Chemaxon
logS0.69ALOGPS
pKa (Strongest Basic)-7.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area52.6 Å2Chemaxon
Rotatable Bond Count0Chemaxon
Refractivity21.71 m3·mol-1Chemaxon
Polarizability9.19 Å3Chemaxon
Number of Rings1Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014l-6900000000-1d48a050236f3930da60
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-77c501f44aadba349323
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-3900000000-057d38766473843bd932
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-757295ae56a5fbae0958
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9000000000-3fc6e431c03e7cf3b7b2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dl-9000000000-2133d241e758c3b8163f
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]-115.4130784
predicted
DarkChem Lite v0.1.0
[M+H]+116.2820784
predicted
DarkChem Lite v0.1.0

Drug created at December 15, 2020 18:14 / Updated at December 20, 2020 03:38