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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
- 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 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid may increase the hypotensive activities of Cicletanine. 1-benzylimidazole 1-benzylimidazole may decrease the antihypertensive activities of Cicletanine. 2,5-Dimethoxy-4-ethylamphetamine 2,5-Dimethoxy-4-ethylamphetamine may decrease the antihypertensive activities of Cicletanine. 2,5-Dimethoxy-4-ethylthioamphetamine 2,5-Dimethoxy-4-ethylthioamphetamine may decrease the antihypertensive activities of Cicletanine. 3,4-Methylenedioxyamphetamine 3,4-Methylenedioxyamphetamine may decrease the antihypertensive activities of Cicletanine. 4-Bromo-2,5-dimethoxyamphetamine 4-Bromo-2,5-dimethoxyamphetamine may decrease the antihypertensive activities of Cicletanine. 4-Methoxyamphetamine 4-Methoxyamphetamine may decrease the antihypertensive activities of Cicletanine. 5-methoxy-N,N-dimethyltryptamine 5-methoxy-N,N-dimethyltryptamine may decrease the antihypertensive activities of Cicletanine. Abacavir Cicletanine may increase the excretion rate of Abacavir which could result in a lower serum level and potentially a reduction in efficacy. Abediterol Abediterol may decrease the antihypertensive activities of 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