Detailed information for compound 991517

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.237 | Formula: C15H10Cl2N4OS
  • H donors: 0 H acceptors: 3 LogP: 3.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cn1)Cn1ccs/c/1=N\C(=O)c1ccc(nc1)Cl
  • InChi: 1S/C15H10Cl2N4OS/c16-12-3-1-10(7-18-12)9-21-5-6-23-15(21)20-14(22)11-2-4-13(17)19-8-11/h1-8H,9H2/b20-15-
  • InChiKey: LBZCWBWGZRRKSR-HKWRFOASSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0114 0.1105 0.0988
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0114 0.1105 0.0988
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0558 1 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0558 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0558 1 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0558 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0558 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0558 1 1
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0191 0.2649 0.2552
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0114 0.1105 0.1105
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0558 1 1
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0206 0.2954 0.2861
Loa Loa (eye worm) hypothetical protein 0.0558 1 1
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0206 0.2954 0.2861
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0114 0.1105 0.0988
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0558 1 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0065 0.013 0.013
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0558 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0558 1 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0558 1 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0558 1 1
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0114 0.1105 0.0988
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0206 0.2954 0.2861
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0206 0.2954 0.2861
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0191 0.2649 0.1736
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0206 0.2954 0.2861
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0206 0.2954 0.2861
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0114 0.1105 0.0988
Treponema pallidum ATP-dependent RNA helicase 0.0558 1 1
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0206 0.2954 0.2861
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0206 0.2954 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0114 0.1105 0.1105
Plasmodium vivax RNA helicase-1, putative 0.0558 1 1
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0206 0.2954 0.2861
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0114 0.1105 0.0988
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0114 0.1105 0.0988
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0069 0.0202 0.0072
Leishmania major eukaryotic initiation factor 4a, putative 0.0558 1 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0558 1 1
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0206 0.2954 0.2861
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0114 0.1105 0.0988
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0065 0.013 0.013
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0114 0.1105 0.0988
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0206 0.2954 0.2861
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0558 1 1
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0114 0.1105 0.0988
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0114 0.1105 0.0988
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0558 1 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0558 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0558 1 1
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0191 0.2649 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0558 1 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0206 0.2954 0.2954
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0191 0.2649 1
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0206 0.2954 0.2861
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0114 0.1105 0.0988
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0558 1 1
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0191 0.2649 0.5

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.