Detailed information for compound 1168065

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.395 | Formula: C15H18N4OS
  • H donors: 3 H acceptors: 1 LogP: 2.86 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCc2c(C1)sc(c2C(=O)NNc1ccccc1)N
  • InChi: 1S/C15H18N4OS/c1-19-8-7-11-12(9-19)21-14(16)13(11)15(20)18-17-10-5-3-2-4-6-10/h2-6,17H,7-9,16H2,1H3,(H,18,20)
  • InChiKey: JHLZDNJTNGKADY-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 0.0048 0.1083 0.124
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0201 0.0228
Echinococcus granulosus expressed conserved protein 0.009 0.2413 0.2412
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0201 0.5582
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0201 0.0228
Schistosoma mansoni tar DNA-binding protein 0.0128 0.362 0.4151
Brugia malayi RNA binding protein 0.0128 0.362 0.4151
Brugia malayi CHE-14 protein 0.0041 0.086 0.0985
Brugia malayi MH2 domain containing protein 0.0125 0.3522 0.4039
Loa Loa (eye worm) hypothetical protein 0.0036 0.0686 0.0786
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0078 0.0076
Onchocerca volvulus 0.0248 0.7426 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0546 0.0624
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0201 0.5582
Plasmodium vivax SET domain protein, putative 0.0031 0.0546 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.3904 0.3903
Trypanosoma brucei cytochrome P450, putative 0.0023 0.0279 0.7782
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0201 0.5603
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.4124 0.4729
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0179 0.0177
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.086 0.0858
Loa Loa (eye worm) glutaminase 2 0.0289 0.8717 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0201 0.009
Loa Loa (eye worm) T-complex protein 1 0.0025 0.0358 0.0409
Loa Loa (eye worm) hypothetical protein 0.0052 0.1211 0.1387
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0179 0.4968
Echinococcus multilocularis protein dispatched 1 0.0047 0.1045 0.1043
Mycobacterium ulcerans glutaminase 0.0289 0.8717 1
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.3904 0.3903
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0179 0.0203
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.4124 0.4123
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0025 0.0358 0.0357
Loa Loa (eye worm) hypothetical protein 0.0031 0.0546 0.0624
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0201 0.0228
Schistosoma mansoni hypothetical protein 0.004 0.0813 0.0931
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1211 0.1387
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0201 0.0199
Loa Loa (eye worm) hypothetical protein 0.0017 0.0078 0.0088
Echinococcus granulosus GPCR family 2 0.0017 0.0078 0.0076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.4124 0.4123
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0025 0.0358 0.4889
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0179 0.0203
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0201 0.5603
Leishmania major cytochrome p450-like protein 0.0023 0.0279 0.7771
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.086 0.0985
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0201 0.0026
Trichomonas vaginalis chaperonin, putative 0.0025 0.0358 0.021
Schistosoma mansoni hypothetical protein 0.0017 0.0078 0.0088
Leishmania major DNA polymerase kappa, putative 0.002 0.0201 0.5582
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0358 0.0409
Echinococcus multilocularis dna polymerase kappa 0.002 0.0201 0.0199
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0201 0.5603
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0025 0.0358 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0546 0.0624
Toxoplasma gondii exonuclease III APE 0.002 0.0179 0.3256
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0358 0.0409
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0509 0.0508
Onchocerca volvulus 0.0048 0.1083 0.078
Schistosoma mansoni hypothetical protein 0.0017 0.0078 0.0088
Echinococcus multilocularis protein patched 0.0041 0.086 0.0858
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0201 0.5603
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0201 0.0228
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.2598 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0546 0.0544
Plasmodium falciparum T-complex protein 1 subunit beta 0.0025 0.0358 1
Loa Loa (eye worm) RNA binding protein 0.0128 0.362 0.4151
Echinococcus multilocularis expressed conserved protein 0.009 0.2413 0.2412
Schistosoma mansoni glutaminase 0.0289 0.8717 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.6471 0.7422
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0025 0.0358 0.0742
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0546 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0546 0.0544
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0358 0.0409
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.2598 0.2978
Schistosoma mansoni hypothetical protein 0.004 0.0813 0.0931
Brugia malayi T-complex protein 1, beta subunit 0.0025 0.0358 0.0409
Schistosoma mansoni hypothetical protein 0.004 0.0813 0.0931
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.2598 0.2596
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0078 0.0088
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0014 0.0002 0.0047
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0201 0.5603
Trichomonas vaginalis set domain proteins, putative 0.0248 0.7426 0.8488
Leishmania major T-complex protein 1, beta subunit, putative 0.0025 0.0358 1
Echinococcus granulosus tar DNA binding protein 0.0128 0.362 0.3619
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0201 0.5603
Schistosoma mansoni ap endonuclease 0.002 0.0179 0.0203
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0201 0.5582
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1211 0.1387
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0201 0.5603
Echinococcus granulosus Protein patched homolog 1 0.0041 0.086 0.0858
Brugia malayi Pre-SET motif family protein 0.0031 0.0546 0.0624
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0546 0.0544
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.086 0.0858
Schistosoma mansoni tar DNA-binding protein 0.0128 0.362 0.4151
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0179 0.4968
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0201 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0201 0.5603
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0201 0.5603
Echinococcus multilocularis tar DNA binding protein 0.0128 0.362 0.3619
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0144 0.4124 0.4729
Schistosoma mansoni ap endonuclease 0.002 0.0179 0.0203
Loa Loa (eye worm) hypothetical protein 0.0096 0.2598 0.2978
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0201 0.5603
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.3522 0.4039
Trichomonas vaginalis glutaminase, putative 0.0289 0.8717 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0144 0.4124 0.4123
Brugia malayi Cytochrome P450 family protein 0.0023 0.0279 0.0318
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0546 0.0624
Schistosoma mansoni patched 1 0.0041 0.086 0.0985
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0023 0.0279 0.0318
Giardia lamblia TCP-1 chaperonin subunit beta 0.0025 0.0358 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0179 0.4968
Schistosoma mansoni hypothetical protein 0.0017 0.0078 0.0088
Echinococcus granulosus dna polymerase eta 0.002 0.0201 0.0199
Schistosoma mansoni hypothetical protein 0.004 0.0813 0.0931
Brugia malayi glutaminase DH11.1 0.0289 0.8717 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0201 0.0228
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0179 0.4992
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0686 0.0786
Mycobacterium leprae putative cytochrome p450 0.0014 0.0002 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.2598 0.2596
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0201 0.5582
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0078 0.0076
Echinococcus multilocularis GPCR, family 2 0.0017 0.0078 0.0076
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0201 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.4124 0.4729
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0201 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0144 0.4124 0.4729
Mycobacterium leprae Conserved hypothetical protein 0.0014 0.0002 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0201 0.5603
Brugia malayi Cytochrome P450 family protein 0.0033 0.0605 0.0693
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0025 0.0358 0.0357
Loa Loa (eye worm) glutaminase 0.0289 0.8717 1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.1083 0.124
Loa Loa (eye worm) hypothetical protein 0.0051 0.1154 0.1322
Echinococcus granulosus dna polymerase kappa 0.002 0.0201 0.0199
Schistosoma mansoni tar DNA-binding protein 0.0128 0.362 0.4151
Loa Loa (eye worm) TAR-binding protein 0.0128 0.362 0.4151
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0546 0.0624
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0279 0.0318
Giardia lamblia DINP protein human, muc B family 0.002 0.0201 0.1219
Brugia malayi Pre-SET motif family protein 0.0218 0.6471 0.7422
Schistosoma mansoni tar DNA-binding protein 0.0128 0.362 0.4151
Trypanosoma brucei unspecified product 0.002 0.0201 0.5603
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0179 0.5
Brugia malayi TAR-binding protein 0.0128 0.362 0.4151
Brugia malayi Cytochrome P450 family protein 0.0023 0.0279 0.0318
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0025 0.0358 0.0409
Toxoplasma gondii t-complex protein beta subunit 0.0025 0.0358 0.6553
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0179 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0279 0.7771
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0201 0.5582
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0078 0.0088
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.2645 0.3032
Schistosoma mansoni tar DNA-binding protein 0.0128 0.362 0.4151
Schistosoma mansoni DNA polymerase eta 0.002 0.0201 0.0228
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0201 0.5603
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0144 0.4124 0.4729
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0201 0.5582
Echinococcus multilocularis tumor protein p63 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0201 0.0228
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0144 0.4124 0.4123
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.3522 0.4039
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0078 0.0076
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0279 0.0318
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1211 0.1387
Leishmania major DNA polymerase eta, putative 0.002 0.0201 0.5582
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0179 0.0177
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0201 0.0228
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0279 0.0318
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0201 0.5603
Schistosoma mansoni hypothetical protein 0.0017 0.0078 0.0088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.362 0.4151
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0025 0.0358 0.021
Schistosoma mansoni hypothetical protein 0.0036 0.0686 0.0786
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0078 0.0088
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0025 0.0358 1
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.362 0.4151
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0078 0.0076
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0179 0.8901
Echinococcus multilocularis dna polymerase eta 0.002 0.0201 0.0199
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0201 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.086 0.0798
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.0605 0.0693
Loa Loa (eye worm) hypothetical protein 0.0041 0.086 0.0985
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0279 0.7771
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0179 0.0203
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0201 0.5603
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0201 0.0228

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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