Detailed information for compound 1747950

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 168.22 | Formula: C6H8N4S
  • H donors: 2 H acceptors: 0 LogP: 0.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)N/N=C/c1cscc1
  • InChi: 1S/C6H8N4S/c7-6(8)10-9-3-5-1-2-11-4-5/h1-4H,(H4,7,8,10)/b9-3+
  • InChiKey: XTHPLEPOFFZZMI-YCRREMRBSA-N  

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
Toxoplasma gondii isocitrate dehydrogenase 0.0806 1 1
Schistosoma mansoni unc-13 (munc13) 0.0098 0.0777 0.0777
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0806 1 1
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0098 0.0777 0.0777
Loa Loa (eye worm) RNA binding protein 0.0067 0.0379 0.0379
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0379 0.0379
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0806 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0379 0.0379
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0806 1 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0098 0.0777 0.0777
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0098 0.0777 0.0777
Loa Loa (eye worm) isocitrate dehydrogenase 0.0806 1 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0806 1 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0806 1 1
Brugia malayi Probable isocitrate dehydrogenase 0.0098 0.0777 0.0777
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0806 1 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0098 0.0777 0.0777
Brugia malayi Probable isocitrate dehydrogenase 0.0098 0.0777 0.0777
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0098 0.0777 0.0777
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0098 0.0777 0.0777
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.2687 0.2687
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0098 0.0777 1
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0098 0.0777 0.5
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0098 0.0777 1
Toxoplasma gondii isocitrate dehydrogenase 0.0806 1 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0806 1 1
Leishmania major isocitrate dehydrogenase, putative 0.0098 0.0777 0.0777
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0806 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0806 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0806 1 1
Schistosoma mansoni isocitrate dehydrogenase 0.0098 0.0777 0.0777
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0806 1 1
Onchocerca volvulus 0.0038 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0379 0.0379
Entamoeba histolytica tartrate dehydrogenase, putative 0.0098 0.0777 0.5
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0379 0.0379
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0379 0.0379
Brugia malayi RNA binding protein 0.0067 0.0379 0.0379
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0806 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0806 1 1
Echinococcus granulosus tar DNA binding protein 0.0067 0.0379 0.0379
Brugia malayi Isocitrate dehydrogenase 0.0806 1 1
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0379 0.0379
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0379 0.0379
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0379 0.0379
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0806 1 1
Brugia malayi TAR-binding protein 0.0067 0.0379 0.0379
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0098 0.0777 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0806 1 1
Onchocerca volvulus 0.0038 0 0.5
Onchocerca volvulus 0.0038 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0379 0.0379
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0098 0.0777 0.0777
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0098 0.0777 0.0777
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0098 0.0777 0.0777
Loa Loa (eye worm) hypothetical protein 0.0098 0.0777 0.0777
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0098 0.0777 0.0777

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.