Detailed information for compound 1806961

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 292.314 | Formula: C12H12N4O3S
  • H donors: 1 H acceptors: 5 LogP: 0.12 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(C)nc2n1CCS2(=O)=O)Nc1ccccn1
  • InChi: 1S/C12H12N4O3S/c1-8-10(11(17)15-9-4-2-3-5-13-9)16-6-7-20(18,19)12(16)14-8/h2-5H,6-7H2,1H3,(H,13,15,17)
  • InChiKey: ATAVNYMORCRVJT-UHFFFAOYSA-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
Echinococcus multilocularis snurportin 1 0.0299 0.7133 0.7133
Loa Loa (eye worm) carboxylesterase 0.0069 0.1077 0.1077
Loa Loa (eye worm) hypothetical protein 0.0107 0.2077 0.2077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0432 0.0432
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0049 0.0554 0.0554
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0049 0.0554 0.0554
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0049 0.0554 0.0554
Echinococcus granulosus neuroligin 0.0069 0.1077 0.1077
Echinococcus granulosus snurportin 1 0.0299 0.7133 0.7133
Echinococcus multilocularis acetylcholinesterase 0.0408 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0554 0.0554
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0049 0.0554 0.0554
Echinococcus multilocularis ecdysone induced protein 78C 0.0049 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0049 0.0554 0.0554
Schistosoma mansoni thyroid hormone receptor 0.0049 0.0554 0.0554
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0049 0.0554 0.0554
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.1077 0.1077
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0049 0.0554 0.0554
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0 0.5
Echinococcus multilocularis expressed conserved protein 0.0101 0.1907 0.1907
Brugia malayi nuclear receptor NHR-88 0.0049 0.0554 0.0554
Echinococcus multilocularis Niemann Pick C1 protein 0.0153 0.3285 0.3285
Echinococcus multilocularis thyroid hormone receptor alpha 0.0049 0.0554 0.0554
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0049 0.0554 0.0554
Brugia malayi Carboxylesterase family protein 0.0069 0.1077 0.1077
Brugia malayi Carboxylesterase family protein 0.0069 0.1077 0.1077
Loa Loa (eye worm) hypothetical protein 0.0069 0.1077 0.1077
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.1077 0.1077
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0049 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0049 0.0554 0.0554
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0049 0.0554 0.0554
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0537 0.0537
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0134 0.0134
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0049 0.0554 0.0554
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0049 0.0554 0.0554
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0049 0.0554 0.0554
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0537 0.0537
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0049 0.0554 0.0554
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0049 0.0554 0.0554
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0107 0.2077 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0049 0.0554 0.0554
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0049 0.0554 0.0554
Echinococcus granulosus para nitrobenzyl esterase 0.0069 0.1077 0.1077
Echinococcus multilocularis BC026374 protein (S09 family) 0.0069 0.1077 0.1077
Schistosoma mansoni RAR-like nuclear receptor 0.0049 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0049 0.0554 0.0554
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0049 0.0554 0.0554
Schistosoma mansoni hypothetical protein 0.0044 0.0427 0.0427
Echinococcus granulosus acetylcholinesterase 0.0408 1 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0107 0.2077 0.2077
Mycobacterium tuberculosis Carboxylesterase LipT 0.0069 0.1077 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0049 0.0554 0.0554
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0339 0.8169 0.8169
Brugia malayi RNA, U transporter 1 0.008 0.1359 0.1359
Loa Loa (eye worm) carboxylesterase 0.0408 1 1
Echinococcus multilocularis carboxylesterase 5A 0.0408 1 1
Plasmodium vivax importin-beta 2, putative 0.0028 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0049 0.0554 0.0554
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.1077 0.1077
Schistosoma mansoni hypothetical protein 0.0033 0.0134 0.0134
Brugia malayi hypothetical protein 0.0069 0.1077 0.1077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0432 0.0432
Plasmodium falciparum importin beta, putative 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.1077 0.1077
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0049 0.0554 0.0554
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0049 0.0554 0.0554
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0432 0.0432
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0339 0.8169 0.8169
Schistosoma mansoni hypothetical protein 0.0044 0.0427 0.0427
Mycobacterium ulcerans carboxylesterase, LipT 0.0069 0.1077 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.1077 0.1077
Echinococcus granulosus BC026374 protein S09 family 0.0069 0.1077 0.1077
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0049 0.0554 0.0554
Brugia malayi Carboxylesterase family protein 0.0408 1 1
Schistosoma mansoni acetylcholinesterase 0.0069 0.1077 0.1077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0049 0.0554 0.0554
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0339 0.8169 0.8169
Loa Loa (eye worm) hypothetical protein 0.0046 0.0471 0.0471
Echinococcus granulosus carboxylesterase 5A 0.0408 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0109 0.2121 0.2121
Schistosoma mansoni BC026374 protein (S09 family) 0.0069 0.1077 0.1077
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0432 0.0432
Brugia malayi nuclear hormone receptor 0.0049 0.0554 0.0554
Onchocerca volvulus Bile acid receptor homolog 0.0199 0.4498 1
Brugia malayi ecdysteroid receptor 0.0199 0.4498 0.4498
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0432 0.0432
Echinococcus multilocularis Niemann Pick C1 protein 0.0107 0.2077 0.2077
Schistosoma mansoni hypothetical protein 0.0044 0.0427 0.0427
Brugia malayi CHE-14 protein 0.0046 0.0471 0.0471
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0432 0.0432
Loa Loa (eye worm) hypothetical protein 0.0049 0.0554 0.0554
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0049 0.0554 0.0554
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0049 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0033 0.0134 0.0134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0049 0.0554 0.0554
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0069 0.1077 0.1077
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0432 0.0432
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0049 0.0554 0.0554
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0049 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0056 0.0742 0.0742
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0049 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0048 0.0537 0.0537
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0049 0.0554 0.0554
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0049 0.0554 0.0554
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0 0.5
Loa Loa (eye worm) carboxylesterase 0.0069 0.1077 0.1077
Loa Loa (eye worm) hypothetical protein 0.0069 0.1077 0.1077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0049 0.0554 0.0554
Echinococcus multilocularis FTZ F1 alpha 0.0049 0.0554 0.0554
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.0471 0.0471
Echinococcus granulosus expressed conserved protein 0.0101 0.1907 0.1907
Loa Loa (eye worm) hypothetical protein 0.0049 0.0554 0.0554
Echinococcus multilocularis protein dispatched 1 0.0052 0.0641 0.0641
Schistosoma mansoni steroid hormone receptor ad4bp 0.0049 0.0554 0.0554
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0049 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0069 0.1077 0.1077
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0049 0.0554 0.0554
Onchocerca volvulus 0.0069 0.1077 0.1325
Loa Loa (eye worm) hypothetical protein 0.0408 1 1
Echinococcus granulosus acetylcholinesterase 0.0408 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0069 0.1077 0.5
Onchocerca volvulus 0.0069 0.1077 0.1325
Loa Loa (eye worm) hypothetical protein 0.0049 0.0554 0.0554
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0069 0.1077 0.1077
Schistosoma mansoni neuroligin 3 (S09 family) 0.0069 0.1077 0.1077
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0069 0.1077 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0049 0.0554 0.0554
Brugia malayi photoreceptor-specific nuclear receptor 0.0049 0.0554 0.0554
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0049 0.0554 0.0554
Echinococcus multilocularis para nitrobenzyl esterase 0.0069 0.1077 0.1077
Echinococcus granulosus Niemann Pick C1 protein 0.0107 0.2077 0.2077
Echinococcus granulosus ecdysone induced protein 78C 0.0049 0.0554 0.0554
Echinococcus multilocularis protein patched 0.0046 0.0471 0.0471
Echinococcus granulosus Protein patched homolog 1 0.0046 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0408 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0049 0.0554 0.0554
Brugia malayi Steroid receptor seven-up type 2 0.0049 0.0554 0.0554
Onchocerca volvulus 0.0069 0.1077 0.1325
Onchocerca volvulus 0.0069 0.1077 0.1325
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0199 0.4498 0.4498
Echinococcus granulosus Niemann Pick C1 protein 0.0153 0.3285 0.3285
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0432 0.0432
Loa Loa (eye worm) acetylcholinesterase 1 0.0408 1 1
Brugia malayi Carboxylesterase family protein 0.0069 0.1077 0.1077
Brugia malayi Carboxylesterase family protein 0.0069 0.1077 0.1077
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0069 0.1077 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1077 0.1077
Schistosoma mansoni patched 1 0.0046 0.0471 0.0471
Schistosoma mansoni retinoic acid receptor RXR 0.0049 0.0554 0.0554
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0362 0.8793 0.8793
Schistosoma mansoni nuclear hormone receptor 0.0049 0.0554 0.0554
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0049 0.0554 0.0554
Loa Loa (eye worm) steroid hormone receptor 0.0049 0.0554 0.0554
Schistosoma mansoni hypothetical protein 0.0299 0.7133 0.7133
Schistosoma mansoni hypothetical protein 0.0044 0.0427 0.0427
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.0471 0.0471
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0049 0.0554 0.0554
Echinococcus multilocularis neuroligin 0.0069 0.1077 0.1077
Trichomonas vaginalis spcc417.12 protein, putative 0.0069 0.1077 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0408 1 1
Echinococcus multilocularis acetylcholinesterase 0.0408 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.7133 0.7133
Loa Loa (eye worm) hypothetical protein 0.0069 0.1077 0.1077
Brugia malayi steroid hormone receptor 0.0049 0.0554 0.0554
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0049 0.0554 0.0554
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0339 0.8169 0.8169
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0432 0.0432
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0049 0.0554 0.0554
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0339 0.8169 0.8169
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0049 0.0554 0.0554
Schistosoma mansoni coup transcription factor 0.0049 0.0554 0.0554
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0537 0.0537
Schistosoma mansoni gliotactin 0.0069 0.1077 0.1077
Onchocerca volvulus 0.0069 0.1077 0.1325

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.