NAV

K-134

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

Identification

Generic Name
K-134
DrugBank Accession Number
DB12685
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 399.491
Monoisotopic: 399.215806426
Chemical Formula
C22H29N3O4
Synonyms
Not Available
External IDs
  • OPC-33509
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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
Chemical TaxonomyProvided by Classyfire
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
Alcohol / Alkyl aryl ether / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonic acid derivative / Carbonyl group / Cyclic alcohol / Cyclohexanol / Dihydroquinoline
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
J9J6NK6W4U
CAS number
189362-06-9
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

References

General References
Not Available
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/MSsplash10-0udi-0144900000-a4404d722fedddceaaa0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0209000000-7effd0805abfd98083c5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gb9-1193000000-ccc9a4c21e5617732391
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ik9-1900000000-430a4de0316789eb8fcc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gvo-2911100000-4bc6010e150e301861cc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03fr-0910000000-a38793a8f921b9ab0e2a
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]-204.0235266
predicted
DarkChem Lite v0.1.0
[M-H]-195.39024
predicted
DeepCCS 1.0 (2019)
[M+H]+204.1643266
predicted
DarkChem Lite v0.1.0
[M+H]+197.74825
predicted
DeepCCS 1.0 (2019)
[M+Na]+204.1196266
predicted
DarkChem Lite v0.1.0
[M+Na]+204.41374
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:37 / Updated at June 12, 2020 16:53