COTI-2

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

Identification

Generic Name
COTI-2
DrugBank Accession Number
DB17507
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 366.49
Monoisotopic: 366.162665906
Chemical Formula
C19H22N6S
Synonyms
  • 1-piperazinecarbothioic acid, 4-(2-pyridinyl)-, 2-(6,7-dihydro-8(5h)-quinolinylidene)hydrazide
External IDs
  • COTI 2
  • COTI-2
  • COTI2

Pharmacology

Indication

Not Available

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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
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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
2BTA1O65BR
CAS number
1039455-84-9
InChI Key
UTDAKQMBNSHJJB-CJLVFECKSA-N
InChI
InChI=1S/C19H22N6S/c26-19(23-22-16-7-3-5-15-6-4-10-21-18(15)16)25-13-11-24(12-14-25)17-8-1-2-9-20-17/h1-2,4,6,8-10H,3,5,7,11-14H2,(H,23,26)/b22-16+
IUPAC Name
4-(pyridin-2-yl)-N-{[(8E)-5,6,7,8-tetrahydroquinolin-8-ylidene]amino}piperazine-1-carbothioamide
SMILES
S=C(N\N=C1/CCCC2=C1N=CC=C2)N1CCN(CC1)C1=CC=CC=N1

References

General References
Not Available
ChemSpider
52084108

Clinical Trials

Clinical Trials

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 Solubility0.0483 mg/mLALOGPS
logP2.85ALOGPS
logP2.99Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)11.78Chemaxon
pKa (Strongest Basic)6.42Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area56.65 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity107.89 m3·mol-1Chemaxon
Polarizability40.21 Å3Chemaxon
Number of Rings4Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at February 09, 2023 20:10 / Updated at September 24, 2023 02:55