Detailed information for compound 1795932

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 257.248 | Formula: C12H11N5O2
  • H donors: 1 H acceptors: 3 LogP: 2.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(/N=N/c1nc2c([nH]1)cccc2)C#N
  • InChi: 1S/C12H11N5O2/c1-2-19-11(18)10(7-13)16-17-12-14-8-5-3-4-6-9(8)15-12/h3-6,10H,2H2,1H3,(H,14,15)/b17-16+
  • InChiKey: RGGSLSROTYMAIB-WUKNDPDISA-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 0.002 0.0009 0.0064
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0437 0.2645 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0026 0.0065
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0062 0.0306
Echinococcus granulosus chromobox protein 1 0.0068 0.0314 0.1139
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0267 0.157 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0467 1
Echinococcus granulosus chromobox protein 1 0.0068 0.0314 0.1139
Echinococcus multilocularis peregrin 0.0029 0.0062 0.0225
Schistosoma mansoni hypothetical protein 0.0032 0.0081 0.0398
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0064
Brugia malayi hypothetical protein 0.0035 0.0104 0.0144
Echinococcus multilocularis lysine specific histone demethylase 1A 0.002 0.0009 0.0033
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0437 0.2645 1
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0352 0.1737
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0026 0.0065
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0026 0.0065
Brugia malayi chromobox protein homolog 3 0.0038 0.0123 0.0171
Plasmodium falciparum telomerase reverse transcriptase 0.0437 0.2645 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0062 0.0225
Echinococcus granulosus neuropeptide s receptor 0.0454 0.2752 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0467 1
Brugia malayi SWIRM domain containing protein 0.002 0.0009 0.0012
Chlamydia trachomatis DNA polymerase I 0.0059 0.0252 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.0467 0.1739
Schistosoma mansoni kinase 0.0047 0.0179 0.0883
Echinococcus granulosus peregrin 0.0029 0.0062 0.0225
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0467 0.1739
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0002 0.0009
Echinococcus multilocularis geminin 0.0339 0.2026 0.7364
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.01 0.0494
Echinococcus multilocularis chromobox protein 1 0.0068 0.0314 0.1139
Brugia malayi PHD-finger family protein 0.0029 0.0062 0.0086
Entamoeba histolytica hypothetical protein 0.0035 0.0104 0.2232
Brugia malayi Heterochromatin protein 1 0.0068 0.0314 0.0433
Treponema pallidum DNA polymerase I (polA) 0.0059 0.0252 1
Schistosoma mansoni hypothetical protein 0.0035 0.0104 0.0515
Giardia lamblia Telomerase catalytic subunit 0.0437 0.2645 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0397 0.1443
Loa Loa (eye worm) hypothetical protein 0.0038 0.0123 0.0886
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0512 0.3678
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0053 0.1127
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0171 0.3665
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0287 0.1698 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0002 0.0014
Mycobacterium ulcerans 5'-3' exonuclease 0.0042 0.0145 0.0803
Trypanosoma brucei telomerase reverse transcriptase 0.0437 0.2645 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0064
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0081 0.0293
Echinococcus granulosus lysine specific histone demethylase 1A 0.002 0.0009 0.0033
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.0467 0.1699
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0064
Schistosoma mansoni amine oxidase 0.002 0.0009 0.0044
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0026 0.0707
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0059 0.0252 0.1557
Loa Loa (eye worm) hypothetical protein 0.003 0.0071 0.051
Loa Loa (eye worm) hypothetical protein 0.0049 0.0191 0.1374
Entamoeba histolytica hypothetical protein 0.0035 0.0104 0.2232
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0062 0.0201
Toxoplasma gondii RNA-directed DNA polymerase 0.0437 0.2645 1
Onchocerca volvulus Alhambra homolog 0.0029 0.0062 0.0053
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.01 0.0364
Brugia malayi hypothetical protein 0.002 0.0009 0.0012
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.01 0.0719
Brugia malayi amine oxidase, flavin-containing family protein 0.002 0.0009 0.0012
Loa Loa (eye worm) hypothetical protein 0.0068 0.0312 0.2244
Entamoeba histolytica hypothetical protein 0.0023 0.0026 0.056
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0314 0.6708
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0081 0.058
Brugia malayi MH2 domain containing protein 0.0239 0.1393 0.1924
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0026 0.0065
Schistosoma mansoni hypothetical protein 0.0339 0.2026 1
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0026 0.0707
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.0467 1
Entamoeba histolytica hypothetical protein 0.0035 0.0104 0.2232
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.0467 0.0459
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0081 0.0293
Loa Loa (eye worm) transcription factor SMAD2 0.0239 0.1393 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.01 0.0494
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0042 0.0145 0.0515
Plasmodium vivax telomerase reverse transcriptase, putative 0.0437 0.2645 1
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0314 0.2251
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0104 0.0379
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0467 1
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0314 0.6708
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0133 0.0483
Echinococcus multilocularis protoporphyrinogen oxidase 0.002 0.0009 0.0033
Mycobacterium tuberculosis Probable 5'-3' exonuclease 0.0042 0.0145 0.0869
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0042 0.0145 0.0515
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0026 0.0065
Schistosoma mansoni hypothetical protein 0.0029 0.0062 0.0306
Leishmania major telomerase reverse transcriptase, putative 0.0437 0.2645 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0467 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0467 1
Echinococcus multilocularis neuropeptide s receptor 0.0454 0.2752 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0239 0.1393 1
Mycobacterium ulcerans DNA polymerase I 0.0059 0.0252 0.1439
Brugia malayi Telomerase reverse transcriptase 0.1163 0.7236 1
Plasmodium falciparum phd finger protein, putative 0.0029 0.0062 0.0201
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0042 0.0145 0.0515
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0002 0.0007
Echinococcus multilocularis 0.002 0.0009 0.0033
Loa Loa (eye worm) hypothetical protein 0.0032 0.0081 0.058
Echinococcus granulosus expressed protein 0.0366 0.2198 0.7988
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0053 0.1127
Echinococcus granulosus lysine specific histone demethylase 1A 0.002 0.0009 0.0033
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0287 0.1698 1
Brugia malayi jmjC domain containing protein 0.0035 0.01 0.0138
Echinococcus multilocularis GPCR, family 2 0.0032 0.0081 0.0293
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0002 0.0009
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0062 0.0225
Giardia lamblia Kinase, PLK 0.0093 0.0467 0.157
Echinococcus granulosus jumonji domain containing protein 0.004 0.0133 0.0483
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0512 0.0708
Onchocerca volvulus 0.003 0.0071 0.0062
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0467 1
Echinococcus granulosus neuropeptide receptor A26 0.0454 0.2752 1
Brugia malayi Bromodomain containing protein 0.0029 0.0062 0.0086
Echinococcus multilocularis neuropeptide receptor A26 0.0454 0.2752 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0062 0.0201
Echinococcus granulosus GPCR family 2 0.0032 0.0081 0.0293
Schistosoma mansoni hypothetical protein 0.0339 0.2026 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0026 0.011
Loa Loa (eye worm) hypothetical protein 0.0029 0.0062 0.0445
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.0042 0.0145 0.0515
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0062 0.0445
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0081 0.0293
Schistosoma mansoni chromobox protein 0.0068 0.0314 0.1547
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0002 0.0003
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0002 0.0009
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.0467 0.0646
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0142 0.3035
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.002 0.0009 0.0044
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0467 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0064
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0026 0.0102
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0512 0.0708
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.0042 0.0145 0.0452
Loa Loa (eye worm) hypothetical protein 0.0082 0.0397 0.2852
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.01 0.0364
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0171 0.3665
Schistosoma mansoni hypothetical protein 0.0032 0.0081 0.0398
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0081 0.0112
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0255 0.1829
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0474 0.1722
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0123 0.2641
Schistosoma mansoni chromobox protein 0.0068 0.0314 0.1547
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0081 0.0293
Loa Loa (eye worm) hypothetical protein 0.01 0.0512 0.3678
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0002 0.0014
Brugia malayi jmjC domain containing protein 0.0094 0.0474 0.0655
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0142 0.0133
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0397 0.1443
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.0467 0.3356
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.0467 0.1699
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0123 0.0115
Trypanosoma brucei polo-like protein kinase 0.0093 0.0467 0.1685
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0059 0.0252 1
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0123 0.2641
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0026 0.0102
Schistosoma mansoni hypothetical protein 0.0032 0.0081 0.0398
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0059 0.0252 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0104 0.0379
Schistosoma mansoni hypothetical protein 0.0068 0.0312 0.1542
Toxoplasma gondii 5'-3' exonuclease, N-terminal resolvase family domain-containing protein 0.002 0.001 0.0005
Schistosoma mansoni Lysine-specific histone demethylase 1 0.002 0.0009 0.0044
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0142 0.3035
Schistosoma mansoni amine oxidase 0.002 0.0009 0.0044
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0397 0.196
Echinococcus granulosus geminin 0.0339 0.2026 0.7364
Schistosoma mansoni hypothetical protein 0.0032 0.0081 0.0398
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0062 0.0201
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0081 0.0112
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0002 0.0007
Onchocerca volvulus 0.0082 0.0397 0.0389
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0467 0.1739
Entamoeba histolytica hypothetical protein 0.0035 0.0104 0.2232
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0064
Echinococcus multilocularis chromobox protein 1 0.0068 0.0314 0.1139
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0312 0.0432
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0474 0.1722
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0104 0.0515
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0467 0.2307
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0042 0.0145 0.0515
Echinococcus multilocularis expressed protein 0.0366 0.2198 0.7988
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0397 0.0549

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 8.5 mm Antimicrobial activity against Escherichia coli assessed as diameter of growth inhibition zone at 1 mg/ml after 24 hr by nutrient agar well diffusion method ChEMBL. No reference
IZ (functional) = 9 mm Antimicrobial activity against Candida albicans assessed as diameter of growth inhibition zone at 1 mg/ml after 48 hr by potato dextrose agar well diffusion method ChEMBL. 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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