K-134

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

Identification

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Name
K-134
Accession Number
DB12685
Type
Small Molecule
Groups
Investigational
Description

K-134 has been used in trials studying the treatment of Intermittent Claudication.

Structure
Thumb
Synonyms
Not Available
External IDs
OPC-33509
Categories
UNII
J9J6NK6W4U
CAS number
189362-06-9
Weight
Average: 399.491
Monoisotopic: 399.215806426
Chemical Formula
C22H29N3O4
InChI Key
ULGNGSQNNMKROG-WOJBJXKFSA-N
InChI
InChI=1S/C22H29N3O4/c26-20-5-2-1-4-19(20)25(16-7-8-16)22(28)23-12-3-13-29-17-9-10-18-15(14-17)6-11-21(27)24-18/h6,9-11,14,16,19-20,26H,1-5,7-8,12-13H2,(H,23,28)(H,24,27)/t19-,20-/m1/s1
IUPAC Name
1-cyclopropyl-1-[(1R,2R)-2-hydroxycyclohexyl]-3-{3-[(2-oxo-1,2-dihydroquinolin-6-yl)oxy]propyl}urea
SMILES
O[C@@H]1CCCC[C@H]1N(C1CC1)C(=O)NCCCOC1=CC=C2NC(=O)C=CC2=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
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
PubChem Compound
9908900
PubChem Substance
347828887
ChemSpider
8084552
ChEMBL
CHEMBL284838

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentIntermittent Claudication1

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 Solubility0.141 mg/mLALOGPS
logP2.38ALOGPS
logP1.83ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)14.19ChemAxon
pKa (Strongest Basic)-0.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area90.9 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity112.06 m3·mol-1ChemAxon
Polarizability43.68 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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/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 hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Quinolones and derivatives
Direct Parent
Hydroquinolones
Alternative Parents
Hydroquinolines / Pyridinones / Cyclohexanols / Alkyl aryl ethers / Benzenoids / Heteroaromatic compounds / Ureas / Lactams / Cyclic alcohols and derivatives / Azacyclic compounds
show 5 more
Substituents
Dihydroquinolone / Dihydroquinoline / Alkyl aryl ether / Cyclohexanol / Pyridinone / Benzenoid / Pyridine / Cyclic alcohol / Heteroaromatic compound / Lactam
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:37 / Updated on December 02, 2019 09:30