Detailed information for compound 691036

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.402 | Formula: C16H16N6O3S
  • H donors: 3 H acceptors: 6 LogP: 1.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nnc2n1c(C)cc(n2)O
  • InChi: 1S/C16H16N6O3S/c1-9-7-13(24)19-15-20-21-16(22(9)15)26-8-14(25)18-12-5-3-11(4-6-12)17-10(2)23/h3-7H,8H2,1-2H3,(H,17,23)(H,18,25)(H,19,20,24)
  • InChiKey: XKBUPWGMBMMIKB-UHFFFAOYSA-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
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0153 0.1321 0.1321
Brugia malayi glucose-6-phosphate dehydrogenase 0.01 0.0714 0.299
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.01 0.0714 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.2312 0.2312
Loa Loa (eye worm) hypothetical protein 0.0246 0.2389 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.01 0.0714 1
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0909 1 1
Echinococcus multilocularis geminin 0.0176 0.159 0.6657
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0132 0.0552
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0108 0.0816 0.2587
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0108 0.0816 0.2587
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0909 1 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.01 0.0714 0.299
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0132 0.0552
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0132 0.0829
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0065 0.0318 0.3893
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.01 0.0714 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0246 0.2389 1
Schistosoma mansoni hypothetical protein 0.0176 0.159 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0065 0.0318 0.0318
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3154 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0909 1 1
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.01 0.0714 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.01 0.0714 0.4491
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0132 0.0552
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.01 0.0714 0.299
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0153 0.1321 0.1321
Treponema pallidum fructose-bisphosphate aldolase 0.0312 0.3154 0.2628
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3154 1
Schistosoma mansoni hypothetical protein 0.005 0.0146 0.0916
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3154 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0312 0.3154 0.5
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0909 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3154 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0312 0.3154 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0132 0.0552
Treponema pallidum hypothetical protein 0.0909 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0132 0.0552
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0132 0.0829
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0108 0.0816 0.0816
Schistosoma mansoni survival motor neuron protein 0.005 0.0146 0.0916
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3154 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0108 0.0816 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0132 0.0829
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3154 1
Schistosoma mansoni hypothetical protein 0.0176 0.159 1
Echinococcus granulosus geminin 0.0176 0.159 0.6657
Giardia lamblia Fructose-bisphosphate aldolase 0.0312 0.3154 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3154 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0108 0.0816 0.2587
Onchocerca volvulus 0.005 0.0146 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0132 0.0552
Brugia malayi hypothetical protein 0.0246 0.2389 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0153 0.1321 0.1321
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0312 0.3154 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.01 0.0714 0.299
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0146 0.061
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0108 0.0816 0.011
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.01 0.0714 0.0714
Echinococcus granulosus survival motor neuron protein 1 0.0246 0.2389 1

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.