Detailed information for compound 80252

Basic information

Technical information
  • TDR Targets ID: 80252
  • Name: 2-pyrazin-2-ylguanidine
  • MW: 137.143 | Formula: C5H7N5
  • H donors: 2 H acceptors: 2 LogP: -1.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)Nc1cnccn1
  • InChi: 1S/C5H7N5/c6-5(7)10-4-3-8-1-2-9-4/h1-3H,(H4,6,7,9,10)
  • InChiKey: XJIHUQXSHNSOSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-pyrazinyl)guanidine

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
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0657 0.1812
Leishmania major dihydrofolate reductase-thymidylate synthase 0.018 0.3628 1
Giardia lamblia DINP protein human, muc B family 0.0025 0.041 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0013 0.0163 0.045
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0171 0.0471
Schistosoma mansoni hypothetical protein 0.0062 0.1167 0.1167
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0017 0.0247 0.0247
Schistosoma mansoni cpg binding protein 0.0036 0.0639 0.0639
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0052 0.0972 0.3819
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Echinococcus granulosus cpg binding protein 0.0036 0.0639 0.0578
Echinococcus granulosus lipoxygenase domain containing protein 0.0047 0.0864 0.0804
Schistosoma mansoni polycystin 1-related 0.0047 0.0864 0.0864
Echinococcus multilocularis dihydrofolate reductase 0.0052 0.0972 0.0913
Loa Loa (eye worm) hypothetical protein 0.0047 0.0864 0.3105
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.018 0.3628 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0049 0.0904 0.7747
Schistosoma mansoni lipoxygenase 0.0206 0.4169 0.4169
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0741 0.2042
Echinococcus multilocularis cpg binding protein 0.0036 0.0639 0.0578
Loa Loa (eye worm) dihydrofolate reductase 0.0052 0.0972 0.3549
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0299 0.0824
Mycobacterium tuberculosis Conserved hypothetical protein 0.0017 0.0247 0.0781
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0052 0.0972 0.243
Echinococcus multilocularis lipoxygenase domain containing protein 0.0047 0.0864 0.0804
Trypanosoma brucei DNA polymerase IV, putative 0.0049 0.0904 0.2492
Trichomonas vaginalis DNA polymerase eta, putative 0.0049 0.0904 0.7747
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.005 0.00000000081418
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0171 0.0471
Brugia malayi Doublecortin family protein 0.0047 0.0864 0.3107
Entamoeba histolytica hypothetical protein 0.0028 0.0467 1
Trypanosoma brucei DNA polymerase eta, putative 0.0017 0.0247 0.068
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0247 0.0578
Loa Loa (eye worm) hypothetical protein 0.0047 0.0864 0.3105
Schistosoma mansoni cpg binding protein 0.0034 0.0599 0.0599
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0065 0.0065
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0416 0.3325
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.0467 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Brugia malayi hypothetical protein 0.0047 0.0864 0.3107
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0107 0.0294
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.0467 0.1287
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0107 0.0042
Echinococcus multilocularis thymidylate synthase 0.0128 0.2545 0.2496
Schistosoma mansoni DNA polymerase IV / kappa 0.0005 0.0000064291 0.0000064291
Brugia malayi CXXC zinc finger family protein 0.0034 0.0599 0.2021
Echinococcus multilocularis dna polymerase eta 0.0017 0.0247 0.0183
Echinococcus granulosus dna polymerase kappa 0.0049 0.0904 0.0844
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0241 0.0665
Schistosoma mansoni rab6-interacting 0.0047 0.0864 0.0864
Schistosoma mansoni DNA polymerase eta 0.0017 0.0247 0.0247
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0657 0.1812
Echinococcus granulosus RUN 0.0047 0.0864 0.0804
Loa Loa (eye worm) thymidylate synthase 0.0128 0.2545 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0107 0.0004
Schistosoma mansoni lipoxygenase 0.0122 0.2415 0.2415
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.018 0.3628 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Trypanosoma brucei unspecified product 0.0041 0.0741 0.2042
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0017 0.0247 0.0574
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0107 0.0294
Echinococcus multilocularis dnaJ subfamily B 0.0487 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0049 0.0904 0.3552
Mycobacterium ulcerans thymidylate synthase 0.0128 0.2545 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0246 0.0677
Trypanosoma brucei unspecified product 0.0012 0.0136 0.0374
Echinococcus granulosus L aminoadipate semialdehyde 0.0099 0.1944 0.1891
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0416 0.3325
Brugia malayi hypothetical protein 0.0047 0.0864 0.3107
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.0467 0.1835
Echinococcus multilocularis lipoxygenase domain containing protein 0.0047 0.0864 0.0804
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.018 0.3628 1
Echinococcus granulosus dihydrofolate reductase 0.0052 0.0972 0.0913
Trypanosoma cruzi DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Loa Loa (eye worm) doublecortin family protein 0.0047 0.0864 0.3105
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0099 0.1944 0.1944
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0099 0.1944 0.7537
Schistosoma mansoni DNA helicase recq5 0.001 0.0107 0.0107
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0025 0.041 0.1435
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0171 0.3657
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0107 0.0004
Leishmania major DNA polymerase kappa, putative 0.0025 0.041 0.113
Brugia malayi ImpB/MucB/SamB family protein 0.0017 0.0247 0.0578
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.0467 0.1287
Mycobacterium ulcerans DNA polymerase IV 0.0049 0.0904 0.3552
Trypanosoma cruzi DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Schistosoma mansoni hypothetical protein 0.0047 0.0864 0.0864
Schistosoma mansoni terminal deoxycytidyl transferase 0.0017 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.0017 0.0247 0.0574
Trypanosoma cruzi DNA polymerase eta, putative 0.0017 0.0247 0.068
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0599 0.2018
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.005 0.00000000081418
Echinococcus multilocularis L aminoadipate semialdehyde 0.0099 0.1944 0.1891
Schistosoma mansoni loxhd1 0.0047 0.0864 0.0864
Schistosoma mansoni rab6-interacting 0.0047 0.0864 0.0864
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.1153 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.005 0.00000000081418
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0025 0.041 0.113
Echinococcus granulosus dna polymerase eta 0.0017 0.0247 0.0183
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.0467 0.1835
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0467 0.1287
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0017 0.0247 0.0183
Loa Loa (eye worm) RecQ helicase 0.0025 0.0416 0.127
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0128 0.2545 0.2545
Chlamydia trachomatis dihydrofolate reductase 0.0052 0.0972 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0025 0.041 0.113
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0416 0.0353
Schistosoma mansoni hypothetical protein 0.0487 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0128 0.2545 1
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0416 0.1273
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.0467 0.1664
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0061 0.1153 0.3177
Entamoeba histolytica deoxycytidyl transferase, putative 0.0017 0.0247 0.5284
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0109 0.0044
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.005 0.00000000081418
Schistosoma mansoni dihydrofolate reductase 0.0052 0.0972 0.0972
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0107 0.0294
Schistosoma mansoni cpg binding protein 0.0036 0.0639 0.0639
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.0467 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0657 0.2258
Mycobacterium tuberculosis Hypothetical protein 0.0061 0.1153 0.4414
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0171 0.1097
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0107 0.0042
Schistosoma mansoni DNA helicase recq1 0.001 0.0107 0.0107
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.0467 0.1287
Echinococcus multilocularis Polycystic kidney disease protein 0.0047 0.0864 0.0804
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0072 0.1395 0.1395
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.018 0.3628 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.1944 0.7536
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0109 0.0008
Onchocerca volvulus 0.0099 0.1944 0.6912
Plasmodium falciparum LCCL domain-containing protein 0.0047 0.0864 0.2381
Plasmodium vivax multidomain scavenger receptor, putative 0.0047 0.0864 0.2381
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.018 0.3628 1
Leishmania major DNA polymerase eta, putative 0.0017 0.0247 0.068
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Trypanosoma brucei DNA polymerase IV, putative 0.0049 0.0904 0.2492
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0171 0.0471
Onchocerca volvulus 0.0128 0.2545 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.005 0.00000000081418
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0107 0.0042
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0128 0.2545 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.005 0.00000000081418
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0107 0.2603
Brugia malayi Dihydrofolate reductase 0.0052 0.0972 0.3551
Trypanosoma brucei unspecified product 0.0012 0.0136 0.0374
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.005 0.00000000081418
Onchocerca volvulus 0.0047 0.0864 0.1361
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0107 0.0042
Echinococcus multilocularis RUN 0.0047 0.0864 0.0804
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.005 0.00000000081418
Loa Loa (eye worm) hypothetical protein 0.002 0.031 0.0832
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0206 0.4169 0.4131
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.0467 0.1287
Brugia malayi polk-prov protein 0.0037 0.0657 0.2261
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Echinococcus granulosus lipoxygenase domain containing protein 0.0047 0.0864 0.0804
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0206 0.4169 0.4131
Echinococcus granulosus thymidylate synthase 0.0128 0.2545 0.2496
Brugia malayi dihydrofolate reductase family protein 0.0052 0.0972 0.3551
Brugia malayi thymidylate synthase 0.0128 0.2545 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0052 0.0972 0.369
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0109 0.0044
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0352 0.0971
Brugia malayi hypothetical protein 0.0061 0.1153 0.4291
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.0467 0.1287
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.1234 0.3401
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0299 0.0824
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0299 0.0824
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0017 0.0247 0.0183
Echinococcus granulosus bloom syndrome protein 0.0025 0.0416 0.0353
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0306 0.0306
Trypanosoma cruzi DNA polymerase kappa, putative 0.0049 0.0904 0.2492
Echinococcus multilocularis dna polymerase kappa 0.0049 0.0904 0.0844
Echinococcus granulosus Polycystic kidney disease protein 0.0047 0.0864 0.0804
Onchocerca volvulus 0.0047 0.0864 0.1361

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 50 % Ability to inhibit microPa (calbiochem) and S-2444 (quadratech) as substrate at concentration of 1 microM ChEMBL. 11755349
Inhibition (binding) < 50 % Ability to inhibit human tissue plasminogen activator stimulator at concentration of 1 microM ChEMBL. 11755349
Inhibition (binding) < 50 % Ability to inhibit human plasmin using Chromozym-PL as substrate at concentration of 1 uM ChEMBL. 11755349
Inhibition (binding) < 50 % Ability to inhibit microPa (calbiochem) and S-2444 (quadratech) as substrate at concentration of 1 microM ChEMBL. 11755349
Inhibition (binding) < 50 % Ability to inhibit human tissue plasminogen activator stimulator at concentration of 1 microM ChEMBL. 11755349
Inhibition (binding) < 50 % Ability to inhibit human plasmin using Chromozym-PL as substrate at concentration of 1 uM ChEMBL. 11755349

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

1 literature reference was collected for this gene.

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