Halicin

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

Identification

Generic Name
Halicin
DrugBank Accession Number
DB15624
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 261.29
Monoisotopic: 260.944887879
Chemical Formula
C5H3N5O2S3
Synonyms
  • 2-amino-5-[(5-nitro-2-thiazolyl)thio]-1,3,4-thiadiazole
External IDs
  • SU 3327
  • SU-3327
  • SU3327

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
Uc-Jun N-terminal kinases
inhibitor
Humans
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Y4KQC5P9B2
CAS number
40045-50-9
InChI Key
NQQBNZBOOHHVQP-UHFFFAOYSA-N
InChI
InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)
IUPAC Name
5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILES
NC1=NN=C(SC2=NC=C(S2)[N+]([O-])=O)S1

References

General References
Not Available
ChemSpider
10011699
BindingDB
29315
ChEMBL
CHEMBL510038
ZINC
ZINC000008716875
Wikipedia
Halicin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility1.01 mg/mLALOGPS
logP1.01ALOGPS
logP1.93Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)14.11Chemaxon
pKa (Strongest Basic)-0.22Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area107.83 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity57.88 m3·mol-1Chemaxon
Polarizability22.18 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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)
AdductCCS Value (Å2)Source typeSource
[M-H]-153.6679437
predicted
DarkChem Lite v0.1.0
[M+H]+153.3537437
predicted
DarkChem Lite v0.1.0
[M+Na]+154.3460437
predicted
DarkChem Lite v0.1.0

Targets

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Kind
Protein group
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Map kinase kinase activity
Specific Function
Serine/threonine-protein kinase involved in various processes such as neuronal proliferation, differentiation, migration and programmed cell death. Extracellular stimuli such as proinflammatory cyt...

Components:
References
  1. Augustine C, Cepinskas G, Fraser DD: Traumatic injury elicits JNK-mediated human astrocyte retraction in vitro. Neuroscience. 2014 Aug 22;274:1-10. doi: 10.1016/j.neuroscience.2014.05.009. Epub 2014 May 15. [Article]
  2. Jang S, Javadov S: Inhibition of JNK aggravates the recovery of rat hearts after global ischemia: the role of mitochondrial JNK. PLoS One. 2014 Nov 25;9(11):e113526. doi: 10.1371/journal.pone.0113526. eCollection 2014. [Article]
  3. Jang S, Yu LR, Abdelmegeed MA, Gao Y, Banerjee A, Song BJ: Critical role of c-jun N-terminal protein kinase in promoting mitochondrial dysfunction and acute liver injury. Redox Biol. 2015 Dec;6:552-564. doi: 10.1016/j.redox.2015.09.040. Epub 2015 Oct 9. [Article]

Drug created at March 04, 2020 18:25 / Updated at June 12, 2020 16:53