Detailed information for compound 1029019

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 258.731 | Formula: C8H11ClN6S
  • H donors: 2 H acceptors: 1 LogP: 1.95 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N/N=C/c1c(C)nc2n1ccs2)N.Cl
  • InChi: 1S/C8H10N6S.ClH/c1-5-6(4-11-13-7(9)10)14-2-3-15-8(14)12-5;/h2-4H,1H3,(H4,9,10,13);1H/b11-4+;
  • InChiKey: NHLSANFXNRCFAB-SODSUQDMSA-N  

Network

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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
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0298 0.5272 0.5108
Echinococcus multilocularis carbonic anhydrase 0.0298 0.5272 0.5272
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.0244 0.4022 0.4022
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0298 0.5272 0.5108
Plasmodium falciparum glutamine synthetase, putative 0.0157 0.1977 0.2141
Loa Loa (eye worm) Gln-2 protein 0.0157 0.1977 0.1315
Leishmania major vacuolar-type proton translocating pyrophosphatase 1, putative 0.0347 0.6436 0.6436
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0499 1 1
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 1 0.0347 0.6436 0.6142
Echinococcus multilocularis carbonic anhydrase 0.0298 0.5272 0.5272
Loa Loa (eye worm) hypothetical protein 0.0298 0.5272 0.4882
Brugia malayi Polyprenyl synthetase family protein 0.0105 0.0762 0.0441
Trypanosoma cruzi glutamine synthetase, putative 0.0244 0.4022 0.3529
Loa Loa (eye worm) hypothetical protein 0.0298 0.5272 0.4882
Trypanosoma brucei carbonic anhydrase-like protein 0.0499 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0105 0.0762 0.5
Onchocerca volvulus Glutamine synthetase homolog 0.0157 0.1977 0.5
Leishmania major farnesyl pyrophosphate synthase 0.0105 0.0762 0.0762
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0105 0.0762 0.3855
Schistosoma mansoni carbonic anhydrase-related 0.0298 0.5272 0.5272
Echinococcus multilocularis carbonic anhydrase 0.0298 0.5272 0.5272
Giardia lamblia Farnesyl diphosphate synthase 0.0105 0.0762 0.5
Brugia malayi follicle stimulating hormone receptor 0.0278 0.481 0.4629
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0105 0.0762 0.3855
Plasmodium falciparum carbonic anhydrase 0.0298 0.5272 0.7949
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0278 0.481 0.4382
Echinococcus granulosus carbonic anhydrase II 0.0499 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0499 1 1
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 2, putative 0.0347 0.6436 0.6142
Toxoplasma gondii V-type H(+)-translocating pyrophosphatase VP1 0.0347 0.6436 1
Schistosoma mansoni carbonic anhydrase-related 0.0298 0.5272 0.5272
Loa Loa (eye worm) hypothetical protein 0.0298 0.5272 0.4882
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0499 1 1
Leishmania major carbonic anhydrase-like protein 0.0499 1 1
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0105 0.0762 0.0762
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0105 0.0762 0.3855
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0105 0.0762 0.1184
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0157 0.1977 0.5
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0105 0.0762 0.0762
Plasmodium vivax glutamine synthetase, putative 0.0157 0.1977 0.2141
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0298 0.5272 0.5108
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0298 0.5272 0.4882
Echinococcus granulosus carbonic anhydrase 0.0298 0.5272 0.5272
Plasmodium vivax V-type H(+)-translocating pyrophosphatase, putative 0.0347 0.6436 1
Toxoplasma gondii hypothetical protein 0.0298 0.5272 0.8192
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0298 0.5272 0.5108
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0298 0.5272 0.5108
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0499 1 1
Plasmodium falciparum V-type H(+)-translocating pyrophosphatase, putative 0.0347 0.6436 1
Echinococcus granulosus carbonic anhydrase 0.0298 0.5272 0.5272
Echinococcus multilocularis glutamine synthetase 0.0244 0.4022 0.4022
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0105 0.0762 0.5
Toxoplasma gondii glutamine synthetase, type I, putative 0.0157 0.1977 0.3072
Trypanosoma cruzi glutamine synthetase, putative 0.0244 0.4022 0.3529
Trypanosoma cruzi Vacuolar proton pyrophosphatase 1, putative 0.0347 0.6436 0.6142
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0105 0.0762 0.0762
Trypanosoma brucei glutamine synthetase, putative 0.0244 0.4022 0.3529
Echinococcus granulosus carbonic anhydrase 0.0298 0.5272 0.5272
Trypanosoma cruzi vacuolar-type proton translocating pyrophosphatase 1 0.0347 0.6436 0.6142
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0499 1 1
Schistosoma mansoni carbonic anhydrase 0.0298 0.5272 0.5272
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0499 1 1
Plasmodium falciparum V-type K+-independent H+-translocating inorganic pyrophosphatase 0.0347 0.6436 1
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0157 0.1977 1
Schistosoma mansoni carbonic anhydrase-related 0.0298 0.5272 0.5272
Schistosoma mansoni hypothetical protein 0.0298 0.5272 0.5272
Mycobacterium ulcerans glutamine synthetase 0.0157 0.1977 1
Echinococcus granulosus glutamine synthetase 0.0244 0.4022 0.4022
Leishmania major glutamine synthetase, putative 0.0244 0.4022 0.4022
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0105 0.0762 0.5
Loa Loa (eye worm) carbonic anhydrase 3 0.0499 1 1
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0157 0.1977 1
Echinococcus multilocularis carbonic anhydrase II 0.0499 1 1
Plasmodium vivax vacuolar-type H+ pumping pyrophosphatase, putative 0.0347 0.6436 1

Activities

Activity type Activity value Assay description Source Reference
T/C (functional) = 100 % Antitumor activity in mice bearing Ehrlich ascites tumor cells at 100 mg/kg ip ChEMBL. 1469693

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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