Detailed information for compound 1467779

Basic information

Technical information
  • TDR Targets ID: 1467779
  • Name: ZINC06862707
  • MW: 292.357 | Formula: C13H16N4O2S
  • H donors: 1 H acceptors: 2 LogP: 3.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC1=NN=C(CS1)c1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C13H16N4O2S/c1-2-3-7-14-13-16-15-12(9-20-13)10-5-4-6-11(8-10)17(18)19/h4-6,8H,2-3,7,9H2,1H3,(H,14,16)
  • InChiKey: JAIYRWQFNMIOHX-UHFFFAOYSA-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 Phosphatidylinositol 3- and 4-kinase family protein 0.1221 0.0744 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1176 0.0715 0.1977
Loa Loa (eye worm) phosphatidylinositol 3 0.0238 0.0114 0.1568
Leishmania major phosphatidylinositol 4-kinase, putative 0.0238 0.0114 0.0316
Entamoeba histolytica protein kinase rad3, putative 0.0664 0.0387 0.4441
Brugia malayi Cytochrome P450 family protein 0.0125 0.0042 0.0566
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1198 0.0729 0.0622
Trichomonas vaginalis PIKK family atypical protein kinase 0.1177 0.0716 0.9786
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0059 0 0.5
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0129 0.0045 0.0129
Loa Loa (eye worm) phosphatidylinositol 3 0.0799 0.0474 0.6501
Entamoeba histolytica hypothetical protein 0.068 0.0398 0.4612
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.068 0.0398 0.1148
Trichomonas vaginalis PIKK family atypical protein kinase 0.1164 0.0708 0.9651
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0295 0.0151 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.0723 0.9893
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0678 0.0396 0.5326
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0568 0.0326 0.3439
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0295 0.0151 0.2072
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.068 0.0398 0.4504
Trichomonas vaginalis conserved hypothetical protein 0.0426 0.0235 0.1966
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0405 0.0222 0.1743
Trichomonas vaginalis conserved hypothetical protein 0.05 0.0283 0.2736
Loa Loa (eye worm) phosphatidylinositol kinase 0.0238 0.0114 0.1568
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0664 0.0387 0.0276
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0871 0.052 0.6444
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1198 0.0729 0.2104
Leishmania major phosphatidylinositol kinase, putative 0.0238 0.0114 0.0316
Echinococcus multilocularis Zinc finger, PHD finger 0.0295 0.0151 0.0037
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0238 0.0114 0.033
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0309 0.016 0.0747
Leishmania major hypothetical protein, conserved 0.571 0.3619 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0295 0.0151 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0714 0.9759
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0477 0.0267 0.0155
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0238 0.0114 0.1537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0697 0.0409 0.4789
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0871 0.052 0.041
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0295 0.0151 0.0584
Schistosoma mansoni fkbp-rapamycin associated protein 0.0664 0.0387 0.4337
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1198 0.0729 0.9767
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1198 0.0729 0.2104
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0748 0.0441 0.6052
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0664 0.0387 0.1117
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0238 0.0114 0.033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.0401 0.4655
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.05 0.0283 0.017
Schistosoma mansoni hypothetical protein 0.05 0.0283 0.2672
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0295 0.0151 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0295 0.0151 0.0606
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0295 0.0151 0.0037
Loa Loa (eye worm) hypothetical protein 0.0238 0.0114 0.1568
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1198 0.0729 0.9803
Leishmania major hypothetical protein, unknown function 0.0238 0.0114 0.0316
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0678 0.0396 0.4584
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1198 0.0729 0.2015
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0295 0.0151 0.2072
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0714 0.9758
Onchocerca volvulus 0.0238 0.0114 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1185 0.0721 0.9866
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.0723 0.9893
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1176 0.0715 0.9812
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0193 0.0086 0.1155
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.0723 0.9893
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1198 0.0729 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0676 0.0395 0.4566
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.0723 0.9893
Trichomonas vaginalis PIKK family atypical protein kinase 0.1187 0.0723 0.9893
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0678 0.0396 0.4584
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1188 0.0723 0.1997
Loa Loa (eye worm) phosphatidylinositol 3 0.0238 0.0114 0.1568
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0254 0.0125 0.036
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0367 0.0197 0.1345
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.044 0.0244 0.2109
Trichomonas vaginalis PIKK family atypical protein kinase 0.1198 0.0729 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1198 0.0729 1
Trichomonas vaginalis conserved hypothetical protein 0.0738 0.0435 0.5211
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1221 0.0744 0.0637
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0678 0.0396 0.1143
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.05 0.0283 0.017
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0238 0.0114 0.1537
Loa Loa (eye worm) phosphatidylinositol 3 0.0129 0.0045 0.0615
Trichomonas vaginalis PIKK family atypical protein kinase 0.0687 0.0402 0.4682
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0295 0.0151 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0676 0.0395 0.4566
Trichomonas vaginalis PIKK family atypical protein kinase 0.1185 0.0721 0.9866
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0258 0.0128 0.1748
Loa Loa (eye worm) hypothetical protein 0.0664 0.0387 0.5312
Loa Loa (eye worm) hypothetical protein 0.05 0.0283 0.3875
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1198 0.0729 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0367 0.0197 0.2649
Trichomonas vaginalis PIKK family atypical protein kinase 0.1185 0.0721 0.9866
Loa Loa (eye worm) phosphatidylinositol 3 0.0238 0.0114 0.1568
Trichomonas vaginalis PIKK family atypical protein kinase 0.1176 0.0715 0.9777
Entamoeba histolytica hypothetical protein 0.0606 0.035 0.3837
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0477 0.0267 0.0155
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0678 0.0396 0.4584
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0568 0.0326 0.3439
Trichomonas vaginalis PIKK family atypical protein kinase 0.1185 0.0721 0.9866
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0295 0.0151 0.0436
Trypanosoma cruzi target of rapamycin kinase 3 0.1188 0.0723 0.2085
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0477 0.0267 0.3595
Loa Loa (eye worm) phosphatidylinositol 3 0.1198 0.0729 1
Echinococcus multilocularis serine protein kinase ATM 0.068 0.0398 0.0287
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0238 0.0114 0.033
Loa Loa (eye worm) phosphatidylinositol 3 0.0238 0.0114 0.1568
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0678 0.0396 0.4584
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0367 0.0197 0.1314
Brugia malayi FAT domain containing protein 0.05 0.0283 0.3798
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1198 0.0729 1
Loa Loa (eye worm) hypothetical protein 0.0201 0.0091 0.1246
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0295 0.0151 0.0606
Trichomonas vaginalis PIKK family atypical protein kinase 0.0426 0.0235 0.1966
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0714 0.9759
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0238 0.0114 0.1537
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0664 0.0387 0.0276
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0714 0.9759
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1221 0.0744 0.0637
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0871 0.052 0.041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0248 0.0121 0.0107
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.068 0.0398 0.5349
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1198 0.0729 0.2015
Loa Loa (eye worm) cytochrome P450 family protein 0.0125 0.0042 0.0577
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0714 0.9758
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.068 0.0398 0.5456
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0714 0.9759
Leishmania major phosphatidylinositol 3-kinase, putative 0.1164 0.0708 0.1956
Toxoplasma gondii target of rapamycin (TOR), putative 0.1185 0.0721 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1175 0.0714 0.9758
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0367 0.0197 0.1345
Echinococcus granulosus serine protein kinase ATM 0.068 0.0398 0.0287
Giardia lamblia GTOR 0.1198 0.0729 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0367 0.0197 0.1345
Loa Loa (eye worm) hypothetical protein 0.0443 0.0246 0.3369
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0367 0.0197 0.2702
Onchocerca volvulus 0.0238 0.0114 0.5
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0738 0.0435 0.5282
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 1.5674 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.5472 0.3467 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0295 0.0151 0.0598
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0367 0.0197 0.1345
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1164 0.0708 0.9706
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1221 0.0744 0.2146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.0401 0.4655
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0295 0.0151 0.0598
Mycobacterium leprae conserved hypothetical protein 0.0238 0.0114 0.5
Loa Loa (eye worm) hypothetical protein 0.0738 0.0435 0.5962
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0606 0.035 0.3837
Trichomonas vaginalis PIKK family atypical protein kinase 0.1185 0.0721 0.9866
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0664 0.0387 0.5208
Trichomonas vaginalis PIKK family atypical protein kinase 0.1164 0.0708 0.9651
Loa Loa (eye worm) hypothetical protein 0.0477 0.0267 0.3668
Trichomonas vaginalis PIKK family atypical protein kinase 0.0761 0.045 0.5452
Leishmania major phosphatidylinositol 3-kinase, putative 0.0295 0.0151 0.0418
Trichomonas vaginalis PIKK family atypical protein kinase 0.1185 0.0721 0.9866
Trichomonas vaginalis PIKK family atypical protein kinase 0.1164 0.0708 0.9651
Toxoplasma gondii FATC domain-containing protein 0.068 0.0398 0.4674
Trichomonas vaginalis PIKK family atypical protein kinase 0.1198 0.0729 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0367 0.0197 0.0568
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0678 0.0396 0.1143
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0295 0.0151 0.0598
Trichomonas vaginalis PIKK family atypical protein kinase 0.1177 0.0716 0.9786
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0238 0.0114 0.1568
Trichomonas vaginalis PIKK family atypical protein kinase 0.0685 0.0401 0.4655
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0238 0.0114 0.033
Trichomonas vaginalis PIKK family atypical protein kinase 0.068 0.0398 0.4612
Trichomonas vaginalis PIKK family atypical protein kinase 0.1185 0.0721 0.9866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0664 0.0387 0.4441
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1188 0.0723 0.991
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0295 0.0151 0.0436
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1221 0.0744 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0367 0.0197 0.1345
Mycobacterium tuberculosis Conserved hypothetical protein 0.0238 0.0114 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.1176 0.0715 0.9812
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0295 0.0151 0.0418
Leishmania major phosphatidylinositol kinase related protein, putative 0.0254 0.0125 0.0345
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1198 0.0729 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0496 0.028 0.2692
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0238 0.0114 0.1568
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0443 0.0246 0.0709
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0295 0.0151 0.0037
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1221 0.0744 0.2146
Trichomonas vaginalis PIKK family atypical protein kinase 0.1164 0.0708 0.9651
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0295 0.0151 0.0598
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1198 0.0729 0.0622
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0295 0.0151 0.0584
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0295 0.0151 0.2031

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.

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