Detailed information for compound 1546341

Basic information

Technical information
  • TDR Targets ID: 1546341
  • Name: E513-0009
  • MW: 311.425 | Formula: C16H13N3S2
  • H donors: 0 H acceptors: 2 LogP: 4.65 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CSc1nncn2c1cc1c2ccs1
  • InChi: 1S/C16H13N3S2/c1-11-2-4-12(5-3-11)9-21-16-14-8-15-13(6-7-20-15)19(14)10-17-18-16/h2-8,10H,9H2,1H3
  • InChiKey: NLISLKRXGIQNCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCGC00122217-01

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
Loa Loa (eye worm) hypothetical protein 0.0071 0.088 0.088
Loa Loa (eye worm) glutamate receptor 0.0108 0.2162 0.2162
Echinococcus multilocularis dna polymerase eta 0.005 0.0174 0.0174
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0211 0.0211
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0313 0.912 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0159 0.3885 0.3871
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0211 0.0211
Schistosoma mansoni metabotropic glutamate receptor 0.0231 0.6319 0.6929
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0159 0.3885 0.3816
Echinococcus granulosus dna polymerase eta 0.005 0.0174 0.0174
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.025 0.6958 0.8878
Loa Loa (eye worm) hypothetical protein 0.005 0.0174 0.0174
Schistosoma mansoni alpha-glucosidase 0.0154 0.3695 0.4051
Brugia malayi Glycosyl hydrolases family 31 protein 0.0178 0.4538 0.579
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0178 0.4538 0.4538
Schistosoma mansoni DNA polymerase eta 0.005 0.0174 0.0191
Echinococcus multilocularis muscleblind protein 1 0.0166 0.4128 0.4128
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0071 0.088 0.088
Schistosoma mansoni alpha-glucosidase 0.0154 0.3695 0.4051
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.0174 0.0089
Leishmania major mitochondrial DNA polymerase beta 0.0336 0.9898 1
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.0174 0.0089
Loa Loa (eye worm) hypothetical protein 0.0339 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0336 0.9898 1
Brugia malayi Receptor family ligand binding region containing protein 0.0071 0.088 0.1122
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.4538 0.4538
Echinococcus granulosus muscleblind protein 0.0166 0.4128 0.4128
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.0438 0.0358
Brugia malayi Metabotropic glutamate receptor precursor. 0.0276 0.7838 1
Brugia malayi metabotropic glutamate receptor type 2 0.0134 0.3042 0.3881
Loa Loa (eye worm) hypothetical protein 0.0166 0.4128 0.4128
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.0174 0.0222
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0211 0.0231
Mycobacterium ulcerans hypothetical protein 0.0177 0.4495 0.5
Brugia malayi Muscleblind-like protein 0.0166 0.4128 0.5267
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0211 0.0269
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.4538 0.4538
Onchocerca volvulus 0.0103 0.1985 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0211 0.0211
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0211 0.0211
Toxoplasma gondii hypothetical protein 0.0054 0.0323 0.5
Loa Loa (eye worm) glutamate receptor 0.0276 0.7838 0.7838
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0211 0.0231
Echinococcus granulosus lysosomal alpha glucosidase 0.0178 0.4538 0.4538
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0211 0.0211
Schistosoma mansoni metabotropic glutamate receptor 0.0134 0.3042 0.3335
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0071 0.088 0.088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0211 0.0231
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0336 0.9898 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0339 1 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0231 0.6319 0.6319
Mycobacterium tuberculosis Conserved hypothetical protein 0.0177 0.4495 0.5
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0231 0.6319 0.6319
Echinococcus multilocularis muscleblind protein 0.0166 0.4128 0.4128
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0159 0.3885 0.3871
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0336 0.9898 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.4128 0.4128

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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