BK-MDA

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

Identification

Name
BK-MDA
Accession Number
DB12809
Type
Small Molecule
Groups
Investigational
Description

BK-MDA has been used in trials studying the treatment of Bladder Exstrophy and Urinary Incontinence.

Structure
Thumb
Synonyms
  • MDC
Categories
Not Available
UNII
K0XHQ9FYT3
CAS number
80535-73-5
Weight
Average: 193.202
Monoisotopic: 193.073893218
Chemical Formula
C10H11NO3
InChI Key
XDEZOLVDJWWXRG-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6H,5,11H2,1H3
IUPAC Name
2-amino-1-(2H-1,3-benzodioxol-5-yl)propan-1-one
SMILES
CC(N)C(=O)C1=CC=C2OCOC2=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
57465250
PubChem Substance
347828983
ChemSpider
25524469

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentCongenital ectopic bladder / Urinary Incontinence (UI)1
2Active Not RecruitingTreatmentDendritic Cells / Immunotherapy / Prostatic Neoplasms / Vaccines1

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 Solubility8.98 mg/mLALOGPS
logP0.21ALOGPS
logP0.8ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)18.65ChemAxon
pKa (Strongest Basic)7.55ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area61.55 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity50.08 m3·mol-1ChemAxon
Polarizability19.76 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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-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 benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzodioxoles
Sub Class
Not Available
Direct Parent
Benzodioxoles
Alternative Parents
Aryl alkyl ketones / Benzenoids / Alpha-amino ketones / Oxacyclic compounds / Acetals / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Aldehydes
Substituents
Benzodioxole / Aryl alkyl ketone / Aryl ketone / Benzenoid / Alpha-aminoketone / Ketone / Acetal / Oxacycle / Organic nitrogen compound / Hydrocarbon derivative
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:23 / Updated on November 02, 2018 07:30