NAV

Cicletanine

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

Identification

Generic Name
Cicletanine
DrugBank Accession Number
DB12766
Background

Cicletanine is under investigation for the treatment of Diabetes, Hypokalemia, Hyponatremia, and Arterial Hypertension.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 261.71
Monoisotopic: 261.0556563
Chemical Formula
C14H12ClNO2
Synonyms
  • Cicletanine
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
Integrate drug-drug
interactions in your software
AbacavirCicletanine may increase the excretion rate of Abacavir which could result in a lower serum level and potentially a reduction in efficacy.
AbaloparatideAbaloparatide may increase the hypotensive activities of Cicletanine.
AcebutololAcebutolol may increase the arrhythmogenic activities of Cicletanine.
AceclofenacThe therapeutic efficacy of Cicletanine can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Cicletanine can be decreased when used in combination with Acemetacin.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Cicletanine hydrochlorideT0SY6373OQ82747-56-6Not applicable

Categories

ATC Codes
C03BX03 — Cicletanine
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Chlorobenzene / Dialkyl ether / Ether / Heteroaromatic compound / Hydrocarbon derivative / Hydroxypyridine
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
CHG7QC509W
CAS number
89943-82-8
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

References

General References
Not Available
Human Metabolome Database
HMDB0250233
PubChem Compound
54910
PubChem Substance
347828952
ChemSpider
49583
RxNav
21914
ChEBI
135078
ChEMBL
CHEMBL191886
Wikipedia
Cicletanine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentPulmonary Arterial Hypertension (PAH)1
1, 2Not Yet RecruitingTreatmentDiabetes / Hypertension Arterial / Hypokalemia / Hyponatremia1

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-MSsplash10-05fr-1930000000-290c32374109fc2d5308
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-f8007703ba6fef14a0ed
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-a78d7949cfa5aa1a3df4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0090000000-aaa32fc48778cef434b5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-8d3e2436cdb67af9c7a0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05bf-0960000000-11b0cd1e8372a343c2ae
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0089-8910000000-03d1df1c2e7caed89bf6
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]-158.16533
predicted
DeepCCS 1.0 (2019)
[M+H]+160.5609
predicted
DeepCCS 1.0 (2019)
[M+Na]+166.53944
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:05 / Updated at September 28, 2023 05:48