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
Structure for K-134 (DB12685)
- Weight
- Average: 399.491
Monoisotopic: 399.215806426 - Chemical Formula
- C22H29N3O4
- Synonyms
- Not Available
- External IDs
- OPC-33509
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- PubChem Compound
- 9908900
- PubChem Substance
- 347828887
- ChemSpider
- 8084552
- ChEMBL
- CHEMBL284838
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Intermittent Claudication 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
Property Value Source Water Solubility 0.141 mg/mL ALOGPS logP 2.38 ALOGPS logP 1.83 ChemAxon logS -3.4 ALOGPS pKa (Strongest Acidic) 14.19 ChemAxon pKa (Strongest Basic) -0.2 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 90.9 Å2 ChemAxon Rotatable Bond Count 7 ChemAxon Refractivity 112.06 m3·mol-1 ChemAxon Polarizability 43.68 Å3 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 23:37 / Updated at June 12, 2020 16:53