Ciclonicate

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

Explore a selection of our essential drug information below, or:

Unlock enhanced features & extensive drug insights, including detailed interaction data & regulatory status. Create a free account.

SUBSCRIBERECOMMENDED FOR PHARMA

Explore the full scope of our drug knowledge tailored for pharmaceutical research needs in our data library. Learn more.

Identification

Generic Name

Ciclonicate

DrugBank Accession Number

DB13709

Background

Not Available

Type

Small Molecule

Groups

Experimental

Structure

Similar Structures

Weight: Average: 247.338
Monoisotopic: 247.15722892
Chemical Formula: C₁₅H₂₁NO₂

Synonyms

Ciclonicate

Get Early Access To DrugBank+

Be among the first to try our new AI-powered, game-changing platform. DrugBank+ is here to streamline your pharmaceutical research and deliver faster insights and smarter decisions.

Join the Waitlist

Get Early Access To DrugBank+

Join the Waitlist

Pharmacology

Indication: Not Available
Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings: Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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

Chemical Identifiers

UNII: 7H634NXI03
CAS number: 53449-58-4
InChI Key: GQSGZTBDVNUIQS-DGCLKSJQSA-N
InChI: InChI=1S/C15H21NO2/c1-11-7-13(9-15(2,3)8-11)18-14(17)12-5-4-6-16-10-12/h4-6,10-11,13H,7-9H2,1-3H3/t11-,13-/m1/s1
IUPAC Name: (1R,5S)-3,3,5-trimethylcyclohexyl pyridine-3-carboxylate
SMILES: C[C@@H]1C[C@H](CC(C)(C)C1)OC(=O)C1=CC=CN=C1

References

General References

Not Available

External Links

ChemSpider: 8620080
ChEBI: 135007
ChEMBL: CHEMBL2104521
ZINC: ZINC000004215324
Wikipedia: Ciclonicate

Clinical Trials

Clinical Trials Clinical Trial & Rare Diseases Add-on Data Package Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package

Phase	Status	Purpose	Conditions	Count	Start Date	Why Stopped	100+ additional columns
Unlock 175K+ rows when you subscribe.View sample data

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	0.156 mg/mL	ALOGPS
logP	3.77	ALOGPS
logP	3.43	Chemaxon
logS	-3.2	ALOGPS
pKa (Strongest Basic)	3.24	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	2	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	39.19 Å²	Chemaxon
Rotatable Bond Count	3	Chemaxon
Refractivity	70.51 m³·mol^-1	Chemaxon
Polarizability	27.87 Å³	Chemaxon
Number of Rings	2	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	Yes	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	splash10-0a7i-9410000000-a1759f1de8e6afaffc3d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-052b-0690000000-bd57f2b9a6b9e5c55aca
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0900000000-02cfd9b571d377e98d8f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0910000000-2c34e48b3442b23ca6c0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-9200000000-2116f8420bcf55936b10
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-8900000000-f41c65d69b7ca3ad10a3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-9000000000-d0e1f049126714fd6eb6
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	160.95671	predicted	DeepCCS 1.0 (2019)
[M+H]+	163.3148	predicted	DeepCCS 1.0 (2019)
[M+Na]+	169.70116	predicted	DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54

Ciclonicate

Identification

Structure for Ciclonicate (DB13709)

Pharmacology

Interactions

Categories

Chemical Identifiers

References

Clinical Trials

Clinical Trial & Rare Diseases Add-on Data Package

Pharmacoeconomics

Properties

Spectra

Collision Cross Sections (CCS)