Detailed information for compound 1795037

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 248.268 | Formula: C8H8N8S
  • H donors: 0 H acceptors: 6 LogP: 0.43 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1nnnc1Sc1ncnc2c1ncn2C
  • InChi: 1S/C8H8N8S/c1-15-4-11-5-6(15)9-3-10-7(5)17-8-12-13-14-16(8)2/h3-4H,1-2H3
  • InChiKey: CEIGFOBGZBMFEQ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) hypothetical protein 0.0036 0.1098 0.1726
Echinococcus multilocularis serine protein kinase ATM 0.0027 0.0657 0.0907
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0093 0.3642 0.5058
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0605 0.0868
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0019 0.0328 0.0124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.1805 0.2346
Brugia malayi beta-lactamase family protein 0.0036 0.1098 0.1608
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Toxoplasma gondii CAAX amino terminal protease family protein 0.0019 0.0288 0.1594
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0027 0.0657 0.0906
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0605 0.0868
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0019 0.0328 0.093
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0093 0.3642 0.5058
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0605 0.0868
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.1098 0.1608
Brugia malayi intermediate filament protein 0.0026 0.0647 0.0889
Echinococcus multilocularis musashi 0.0026 0.0647 0.0892
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.1805 1
Toxoplasma gondii FATC domain-containing protein 0.0027 0.0657 0.3641
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0019 0.0328 0.093
Leishmania major phosphatidylinositol kinase related protein, putative 0.0019 0.0329 0.0005
Mycobacterium ulcerans lipase LipD 0.0036 0.1098 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.009 0.3526 0.4886
Mycobacterium ulcerans beta-lactamase 0.0036 0.1098 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0025 0.004
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.1805 0.4618
Toxoplasma gondii hypothetical protein 0.0019 0.0288 0.1594
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0215 0.0201
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0027 0.0657 0.103
Loa Loa (eye worm) hypothetical protein 0.0023 0.0487 0.0766
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Loa Loa (eye worm) beta-lactamase 0.0036 0.1098 0.1726
Schistosoma mansoni hypothetical protein 0.0037 0.1108 0.1317
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0019 0.0328 0.0166
Toxoplasma gondii target of rapamycin (TOR), putative 0.0019 0.0328 0.1816
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0215 0.0272
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0328 0.0381
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0215 0.0272
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1877 0.2851
Echinococcus granulosus serine protein kinase ATM 0.0027 0.0657 0.0907
Toxoplasma gondii ABC1 family protein 0.0036 0.1098 0.6083
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0605 0.0952
Loa Loa (eye worm) hypothetical protein 0.0093 0.3642 0.5725
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1098 0.1303
Trypanosoma brucei CAAX amino terminal protease, putative 0.009 0.3526 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.1098 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1098 0.2408
Loa Loa (eye worm) hypothetical protein 0.0093 0.3642 0.5725
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0019 0.0328 0.0434
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.1098 0.3113
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.1098 0.154
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0023 0.0487 0.05
Trypanosoma brucei protein kinase, putative 0.0052 0.1805 0.5118
Loa Loa (eye worm) hypothetical protein 0.0036 0.1098 0.1726
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0019 0.0328 0.0434
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0027 0.0657 0.0653
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.1805 0.2555
Echinococcus multilocularis lamin dm0 0.0026 0.0647 0.0892
Brugia malayi Trypsin family protein 0.0093 0.3642 0.5665
Echinococcus multilocularis CAAX prenyl protease 2 0.009 0.3526 0.5025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0215 0.0272
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0019 0.0329 0.0005
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0027 0.0657 0.1864
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.1098 0.3113
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1805 0.5118
Treponema pallidum hypothetical protein 0.0019 0.0288 0.5
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0019 0.0328 0.0166
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0605 0.1717
Echinococcus multilocularis lamin 0.0026 0.0647 0.0892
Onchocerca volvulus 0.0036 0.1098 0.1506
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.1098 0.1726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1098 0.1303
Schistosoma mansoni lamin 0.0026 0.0647 0.0637
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1805 0.5118
Loa Loa (eye worm) hypothetical protein 0.0036 0.1098 0.1726
Chlamydia trachomatis hypothetical protein 0.0019 0.0288 0.5
Echinococcus granulosus flap endonuclease 1 0.0026 0.0605 0.0833
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Mycobacterium leprae Probable lipase LipE 0.0036 0.1098 0.5
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0019 0.0328 0.0434
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.1098 1
Brugia malayi beta-lactamase family protein 0.0036 0.1098 0.1608
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0215 0.0338
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.1098 0.0834
Echinococcus multilocularis muscleblind protein 1 0.0152 0.6361 0.9096
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.009 0.3526 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0215 0.0201
Leishmania major hypothetical protein, conserved 0.0036 0.1098 0.2408
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.1805 0.4618
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Schistosoma mansoni flap endonuclease-1 0.0023 0.0494 0.0412
Echinococcus granulosus lamin dm0 0.0026 0.0647 0.0892
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0657 0.1864
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0019 0.0328 0.093
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1877 0.2951
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1098 0.3113
Loa Loa (eye worm) hypothetical protein 0.0017 0.0215 0.0338
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.1805 0.4618
Loa Loa (eye worm) hypothetical protein 0.0036 0.1098 0.1726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.1805 0.5118
Loa Loa (eye worm) hypothetical protein 0.0152 0.6361 1
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0605 0.0981
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0647 0.1016
Echinococcus granulosus lamin 0.0026 0.0647 0.0892
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.1098 0.0834
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0647 0.0889
Loa Loa (eye worm) hypothetical protein 0.0037 0.1108 0.1741
Onchocerca volvulus 0.0036 0.1098 0.1506
Mycobacterium ulcerans hypothetical protein 0.0036 0.1098 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0089 0.014
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.1098 0.154
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.1805 0.4618
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0328 0.0515
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.009 0.3526 0.4886
Loa Loa (eye worm) hypothetical protein 0.009 0.3526 0.5543
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.1805 0.4618
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.1098 0.0834
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.0328 0.093
Schistosoma mansoni hypothetical protein 0.0166 0.6991 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.1108 0.1624
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0605 0.3921
Loa Loa (eye worm) hypothetical protein 0.0012 0.0003 0.0005
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1805 0.5118
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.009 0.3526 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.009 0.3526 1
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.1805 0.5118
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.1098 0.0834
Brugia malayi Flap endonuclease-1 0.0026 0.0605 0.0823
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1098 0.3113
Onchocerca volvulus 0.0086 0.3368 0.9087
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0019 0.0328 0.0124
Entamoeba histolytica hypothetical protein 0.0027 0.0657 0.1141
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.1805 0.2555
Loa Loa (eye worm) hypothetical protein 0.0036 0.1098 0.1726
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1098 0.2408
Loa Loa (eye worm) hypothetical protein 0.0026 0.0625 0.0982
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.0328 0.093
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1098 0.3113
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.1098 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0605 0.0833
Loa Loa (eye worm) hypothetical protein 0.0026 0.0647 0.1016
Mycobacterium tuberculosis Conserved protein 0.0036 0.1098 0.0834
Loa Loa (eye worm) hypothetical protein 0.0054 0.1877 0.2951
Echinococcus multilocularis GPCR, family 2 0.0017 0.0215 0.0272
Onchocerca volvulus 0.0036 0.1098 0.1506
Echinococcus multilocularis geminin 0.0166 0.6991 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Echinococcus multilocularis muscleblind protein 0.0152 0.6361 0.9096
Echinococcus granulosus geminin 0.0166 0.6991 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0019 0.0328 0.0434
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0605 0.3354
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0215 0.0272
Brugia malayi Muscleblind-like protein 0.0152 0.6361 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.1098 1
Schistosoma mansoni lamin 0.0026 0.0647 0.0637
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0605 0.1717
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Onchocerca volvulus 0.0093 0.3642 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.1098 0.0834
Echinococcus granulosus muscleblind protein 0.0152 0.6361 0.9096
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.1805 0.2555
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.1805 0.4618
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.1098 0.0834
Mycobacterium tuberculosis Conserved protein 0.0036 0.1098 0.0834
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1877 0.2851
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Loa Loa (eye worm) hypothetical protein 0.0036 0.1098 0.1726
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.1098 0.3113
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0328 0.0381
Brugia malayi MAP kinase sur-1 0.0052 0.1805 0.2735
Schistosoma mansoni hypothetical protein 0.0166 0.6991 1
Entamoeba histolytica CAAX prenyl protease family 0.009 0.3526 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.1805 0.2837
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.1098 0.0834
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0328 0.0515
Mycobacterium tuberculosis Conserved protein 0.0036 0.1098 0.0834
Brugia malayi CAAX amino terminal protease family protein 0.009 0.3526 0.548
Trichomonas vaginalis esterase, putative 0.0036 0.1098 0.3113
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.1805 0.2555
Schistosoma mansoni intermediate filament proteins 0.0026 0.0647 0.0637
Giardia lamblia Hypothetical protein 0.009 0.3526 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.6361 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0647 0.0892
Echinococcus granulosus GPCR family 2 0.0017 0.0215 0.0272
Toxoplasma gondii hypothetical protein 0.0019 0.0288 0.1594
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.009 0.3526 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Echinococcus granulosus CAAX prenyl protease 2 0.009 0.3526 0.5025
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.1805 0.4618
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Brugia malayi beta-lactamase 0.0036 0.1098 0.1608
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Loa Loa (eye worm) hypothetical protein 0.0012 0.0003 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Plasmodium falciparum flap endonuclease 1 0.0026 0.0605 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0328 0.093
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0647 0.1016

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antibacterial activity against Escherichia coli ATCC 35218 after 24 hr by disk diffusion method ChEMBL. No reference
Activity (functional) Antifungal activity against Candida albicans ATCC 10231 after 72 hr by disk diffusion method ChEMBL. No reference
Activity (functional) Antibacterial activity against Escherichia coli ATCC 25922 after 24 hr by disk diffusion method LITERATURE. No reference

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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