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

Identification

Name
Halicin
Accession Number
DB15624
Description
Not Available
Type
Small Molecule
Groups
Experimental
Structure
Thumb
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

Pharmacology
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Indication
Not Available
Contraindications & Blackbox Warnings
Contraindications
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
Medicalerrors
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Toxicity
Not Available
Affected organisms
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

Chemical Identifiers

UNII
Not Available
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
Not Available

Targets

Drugtargets
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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. [PubMed:24838066]
  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. [PubMed:25423094]
  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. [PubMed:26491845]

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