Detailed information for compound 1301549

Basic information

Technical information
  • TDR Targets ID: 1301549
  • Name: ZINC00387695
  • MW: 301.41 | Formula: C15H19N5S
  • H donors: 1 H acceptors: 2 LogP: 3.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC(=NN(c1nc(C)cnc1C)C)Nc1ccc(cc1)C
  • InChi: 1S/C15H19N5S/c1-10-5-7-13(8-6-10)18-15(21)19-20(4)14-12(3)16-9-11(2)17-14/h5-9H,1-4H3,(H2,18,19,21)
  • InChiKey: KIDGNVVUPYJFSX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3,6-dimethyl-2-pyrazinyl)-2-methyl-N-(4-methylphenyl)hydrazinecarbothioamide
  • MLS000701623
  • SMR000230333
  • AR-299/42656373

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus CD36 class B scavenger receptor 0.0544 1 1
Echinococcus granulosus lysosome membrane protein 2 0.0544 1 1
Loa Loa (eye worm) hypothetical protein 0.0544 1 1
Loa Loa (eye worm) hypothetical protein 0.0544 1 1
Loa Loa (eye worm) hypothetical protein 0.0544 1 1
Schistosoma mansoni CD36-like class B scavenger receptor 0.0544 1 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0544 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0186 0.0186
Echinococcus multilocularis CD36 class B scavenger receptor 0.0544 1 1
Echinococcus granulosus CD36 class B scavenger receptor 0.0544 1 1
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Schistosoma mansoni CD36-like class B scavenger receptor 0.0544 1 1
Echinococcus multilocularis lysosome membrane protein 2 0.0544 1 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.3351 0.3225
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.0544 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0186 0.0186
Brugia malayi hypothetical protein 0.0205 0.3351 0.3351
Loa Loa (eye worm) hypothetical protein 0.0205 0.3351 0.3225
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.372 0.3601
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0186 0.0186
Loa Loa (eye worm) hypothetical protein 0.0205 0.3351 0.3225
Echinococcus granulosus CD36 class B scavenger receptor 0.0544 1 1
Entamoeba histolytica hypothetical protein 0.0035 0 0.5
Brugia malayi follicle stimulating hormone receptor 0.0224 0.372 0.372
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0186 0.0186
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0186 0.0186
Echinococcus granulosus CD36 class B scavenger receptor 0.0544 1 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0544 1 1
Echinococcus granulosus CD36 class B scavenger receptor 0.0544 1 1
Schistosoma mansoni cd36 antigen 0.0205 0.3351 0.3351
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0186 0.0186
Echinococcus multilocularis CD36 class B scavenger receptor 0.0544 1 1
Brugia malayi hypothetical protein 0.0205 0.3351 0.3351
Echinococcus multilocularis CD36 class B scavenger receptor 0.0544 1 1
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.0544 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0186 0.0186
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0186 0.0186

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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