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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyCicletanine
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Cicletanine
- Accession Number
- DB12766
- Type
- Small Molecule
- Groups
- Investigational
- Description
Cicletanine is under investigation for the treatment of Diabetes, Hypokalemia, Hyponatremia, and Arterial Hypertension.
- Structure
Structure for Cicletanine (DB12766)
- Synonyms
- Not Available
- Categories
- UNII
- CHG7QC509W
- CAS number
- 89943-82-8
- Weight
- Average: 261.71
Monoisotopic: 261.0556563 - Chemical Formula
- C14H12ClNO2
- InChI Key
- CVKNDPRBJVBDSS-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3
- IUPAC Name
- 3-(4-chlorophenyl)-6-methyl-1H,3H-furo[3,4-c]pyridin-7-ol
- SMILES
- CC1=C(O)C2=C(C=N1)C(OC2)C1=CC=C(Cl)C=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
Drug Interaction Abexinostat The risk or severity of QTc prolongation can be increased when Cicletanine is combined with Abexinostat. Acebutolol The risk or severity of QTc prolongation can be increased when Cicletanine is combined with Acebutolol. Aceclofenac The therapeutic efficacy of Cicletanine can be decreased when used in combination with Aceclofenac. Acemetacin The therapeutic efficacy of Cicletanine can be decreased when used in combination with Acemetacin. Aceprometazine The risk or severity of QTc prolongation can be increased when Cicletanine is combined with Aceprometazine. Acetyldigoxin The risk or severity of QTc prolongation can be increased when Cicletanine is combined with Acetyldigoxin. Acetylsalicylic acid The therapeutic efficacy of Cicletanine can be decreased when used in combination with Acetylsalicylic acid. Acrivastine The risk or severity of QTc prolongation can be increased when Acrivastine is combined with Cicletanine. Adenosine The risk or severity of QTc prolongation can be increased when Cicletanine is combined with Adenosine. Ajmaline The risk or severity of QTc prolongation can be increased when Ajmaline is combined with Cicletanine. - Food Interactions
- Not Available
References
- General References
- Not Available
- External Links
- PubChem Compound
- 54910
- PubChem Substance
- 347828952
- ChemSpider
- 49583
- ChEBI
- 135078
- ChEMBL
- CHEMBL191886
- Wikipedia
- Cicletanine
- ATC Codes
- C03BX03 — Cicletanine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Not Yet Recruiting Treatment Arterial Hypertension / Diabetes Mellitus (DM) / Hypokalaemia / Hyponatremias 1 2 Terminated Treatment Pulmonary Arterial Hypertension (PAH) 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 0.727 mg/mL ALOGPS logP 2.8 ALOGPS logP 2.6 ChemAxon logS -2.6 ALOGPS pKa (Strongest Acidic) 8.57 ChemAxon pKa (Strongest Basic) 5.51 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 1 ChemAxon Polar Surface Area 42.35 Å2 ChemAxon Rotatable Bond Count 1 ChemAxon Refractivity 69.68 m3·mol-1 ChemAxon Polarizability 26.49 Å3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available 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
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Halobenzenes
- Direct Parent
- Chlorobenzenes
- Alternative Parents
- Methylpyridines / Hydroxypyridines / Aryl chlorides / Heteroaromatic compounds / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organochlorides show 1 more
- Substituents
- Chlorobenzene / Methylpyridine / Hydroxypyridine / Aryl chloride / Aryl halide / Pyridine / Heteroaromatic compound / Dialkyl ether / Ether / Organoheterocyclic compound show 11 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
Drug created on October 20, 2016 18:05 / Updated on November 02, 2018 07:29