Halicin
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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:
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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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism Uc-Jun N-terminal kinases inhibitorHumans - 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
- External Links
- ChemSpider
- 10011699
- BindingDB
- 29315
- ChEMBL
- CHEMBL510038
- ZINC
- ZINC000008716875
- Wikipedia
- Halicin
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
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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 1.01 mg/mL ALOGPS logP 1.01 ALOGPS logP 1.93 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 14.11 Chemaxon pKa (Strongest Basic) -0.22 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 107.83 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 57.88 m3·mol-1 Chemaxon Polarizability 22.18 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key 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]- 153.6679437 predictedDarkChem Lite v0.1.0 [M+H]+ 153.3537437 predictedDarkChem Lite v0.1.0 [M+Na]+ 154.3460437 predictedDarkChem Lite v0.1.0
Targets
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1. Detailsc-Jun N-terminal kinases (Protein Group)
- Kind
- Protein group
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Serine/threonine-protein kinase involved in various processes such as neuronal proliferation, differentiation, migration and programmed cell death. Extracellular stimuli such as pro-inflammatory cytokines or physical stress stimulate the stress-activated protein kinase/c-Jun N-terminal kinase (SAP/JNK) signaling pathway. In this cascade, two dual specificity kinases MAP2K4/MKK4 and MAP2K7/MKK7 phosphorylate and activate MAPK10/JNK3. In turn, MAPK10/JNK3 phosphorylates a number of transcription factors, primarily components of AP-1 such as JUN and ATF2 and thus regulates AP-1 transcriptional activity. Plays regulatory roles in the signaling pathways during neuronal apoptosis. Phosphorylates the neuronal microtubule regulator STMN2. Acts in the regulation of the amyloid-beta precursor protein/APP signaling during neuronal differentiation by phosphorylating APP. Participates also in neurite growth in spiral ganglion neurons. Phosphorylates the CLOCK-BMAL1 heterodimer and plays a role in the photic regulation of the circadian clock (PubMed:22441692). Phosphorylates JUND and this phosphorylation is inhibited in the presence of MEN1 (PubMed:22327296)
- Specific Function
- Atp binding
Components:
Name | UniProt ID |
---|---|
Mitogen-activated protein kinase 10 | P53779 |
Mitogen-activated protein kinase 8 | P45983 |
Mitogen-activated protein kinase 9 | P45984 |
References
- 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]
- 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]
- 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