Cicletanine

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
Thumb
3D
Similar Structures
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
DrugInteraction
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid may increase the hypotensive activities of Cicletanine.
1-benzylimidazole1-benzylimidazole may decrease the antihypertensive activities of Cicletanine.
2,5-Dimethoxy-4-ethylamphetamine2,5-Dimethoxy-4-ethylamphetamine may decrease the antihypertensive activities of Cicletanine.
2,5-Dimethoxy-4-ethylthioamphetamine2,5-Dimethoxy-4-ethylthioamphetamine may decrease the antihypertensive activities of Cicletanine.
3,4-Methylenedioxyamphetamine3,4-Methylenedioxyamphetamine may decrease the antihypertensive activities of Cicletanine.
4-Bromo-2,5-dimethoxyamphetamine4-Bromo-2,5-dimethoxyamphetamine may decrease the antihypertensive activities of Cicletanine.
4-Methoxyamphetamine4-Methoxyamphetamine may decrease the antihypertensive activities of Cicletanine.
5-methoxy-N,N-dimethyltryptamine5-methoxy-N,N-dimethyltryptamine may decrease the antihypertensive activities of Cicletanine.
AbacavirCicletanine may increase the excretion rate of Abacavir which could result in a lower serum level and potentially a reduction in efficacy.
AbediterolAbediterol 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
PhaseStatusPurposeConditionsCount
1, 2Not Yet RecruitingTreatmentArterial Hypertension / Diabetes Mellitus (DM) / Hypokalaemia / Hyponatremias1
2TerminatedTreatmentPulmonary 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
PropertyValueSource
Water Solubility0.727 mg/mLALOGPS
logP2.8ALOGPS
logP2.6ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)8.57ChemAxon
pKa (Strongest Basic)5.51ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area42.35 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity69.68 m3·mol-1ChemAxon
Polarizability26.49 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 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