Detailed information for compound 1130814

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 194.191 | Formula: C8H10N4O2
  • H donors: 4 H acceptors: 2 LogP: 0.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=N)N/N=C/c1ccc(cc1)O
  • InChi: 1S/C8H10N4O2/c9-8(12-14)11-10-5-6-1-3-7(13)4-2-6/h1-5,13-14H,(H3,9,11,12)/b10-5+
  • InChiKey: QUBAJXFKYCMGJT-BJMVGYQFSA-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 Trypsin family protein 0.0555 1 1
Brugia malayi steroid hormone receptor 0.001 0.0052 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0769 0.0758
Brugia malayi Trypsin-like protease protein 5 0.0555 1 1
Echinococcus granulosus glycoprotein Antigen 5 0.0555 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0769 0.0728
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0561 1
Schistosoma mansoni hypothetical protein 0.0031 0.0437 0.0425
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0561 0.0549
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0561 1
Onchocerca volvulus 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0561 0.0517
Loa Loa (eye worm) hypothetical protein 0.0052 0.0818 0.0775
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.1658 0.162
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0769 0.0758
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0052 0.004
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.4272 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0052 0.0006
Echinococcus granulosus FTZ F1 alpha 0.001 0.0052 0.004
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.1067 0.1056
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0555 1 1
Schistosoma mansoni hypothetical protein 0.0067 0.1093 0.1082
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0094 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0052 0.0008
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0437 0.0425
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0094 0.0082
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0052 0.004
Echinococcus multilocularis Mastin 0.0555 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0052 0.004
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0052 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0052 0.0008
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0555 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0052 0.004
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0769 0.0726
Brugia malayi beta-lactamase family protein 0.0038 0.0561 0.0519
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0052 0.0008
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0047 0.0034
Echinococcus granulosus enteropeptidase 0.0555 1 1
Onchocerca volvulus 0.0052 0.0818 0.077
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0052 0.004
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0561 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0561 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0769 0.0758
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0052 0.004
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0555 1 1
Onchocerca volvulus 0.0555 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0052 0.004
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0052 0.0008
Brugia malayi beta-lactamase family protein 0.0038 0.0561 0.0519
Echinococcus multilocularis GPCR, family 2 0.0031 0.0437 0.0425
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0052 0.0008
Loa Loa (eye worm) hypothetical protein 0.0031 0.0437 0.0392
Echinococcus multilocularis glycoprotein Antigen 5 0.0555 1 1
Brugia malayi Trypsin family protein 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0052 0.0006
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0052 0.0006
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0561 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.0067 0.1093 0.1051
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.0006
Echinococcus granulosus transmembrane protease serine 3 0.0555 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0052 0.0008
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0052 0.0008
Loa Loa (eye worm) beta-lactamase 0.0038 0.0561 0.0517
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0435 0.0391
Brugia malayi ecdysteroid receptor 0.001 0.0052 0.0008
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0437 0.0395
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0052 0.004
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0555 1 1
Echinococcus granulosus Mastin 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.0006
Schistosoma mansoni hypothetical protein 0.0349 0.6246 0.6241
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0052 0.0006
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0769 0.0758
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.1658 0.162
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0561 0.0549
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0052 0.004
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0561 0.0517
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0052 0.004
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0555 1 1
Toxoplasma gondii ABC1 family protein 0.0038 0.0561 0.3397
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0052 0.0008
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0052 0.004
Echinococcus granulosus cpg binding protein 0.0033 0.0468 0.0456
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0052 0.004
Mycobacterium ulcerans hypothetical protein 0.0555 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0555 1 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0052 0.004
Loa Loa (eye worm) trypsin family protein 0.0555 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0052 0.004
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0367 0.0321
Loa Loa (eye worm) hypothetical protein 0.0038 0.0561 0.0517
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0555 1 1
Onchocerca volvulus 0.0038 0.0561 0.0511
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0052 0.004
Schistosoma mansoni coup transcription factor 0.001 0.0052 0.004
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0555 1 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0561 0.0517
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.0006
Onchocerca volvulus 0.0555 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0367 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0052 0.0006
Schistosoma mansoni hypothetical protein 0.0012 0.0094 0.0082
Echinococcus multilocularis tumor protein p63 0.0354 0.6335 0.6331
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0437 0.0425
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.0006
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0437 0.0425
Schistosoma mansoni hypothetical protein 0.0031 0.0437 0.0425
Onchocerca volvulus 0.0555 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0561 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0561 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Echinococcus multilocularis transmembrane protease serine 3 0.0555 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0561 0.0519
Onchocerca volvulus 0.0555 1 1
Brugia malayi hypothetical protein 0.0017 0.0191 0.0148
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0769 0.0758
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0052 0.0008
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0555 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0769 0.0758
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0769 0.0758
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0052 0.0006
Onchocerca volvulus 0.0038 0.0561 0.0511
Echinococcus granulosus tumor protein p63 0.0354 0.6335 0.6331
Schistosoma mansoni thyroid hormone receptor 0.001 0.0052 0.004
Brugia malayi Trypsin family protein 0.0555 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0052 0.0006
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0052 0.004
Trichomonas vaginalis esterase, putative 0.0038 0.0561 1
Mycobacterium leprae Probable lipase LipE 0.0038 0.0561 0.5
Echinococcus multilocularis enteropeptidase 0.0555 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0561 0.0517
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0052 0.0008
Schistosoma mansoni cpg binding protein 0.0033 0.0468 0.0456
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Onchocerca volvulus 0.0555 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0052 0.004
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0561 0.0549
Brugia malayi nuclear hormone receptor 0.001 0.0052 0.0008
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0555 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0052 0.004
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0555 1 1
Echinococcus granulosus geminin 0.0349 0.6246 0.6241
Brugia malayi hypothetical protein 0.0027 0.0367 0.0324
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0437 0.0425
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0052 0.004
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0367 0.5
Echinococcus granulosus GPCR family 2 0.0031 0.0437 0.0425
Schistosoma mansoni cpg binding protein 0.0033 0.0468 0.0456
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.1658 0.1618
Schistosoma mansoni hypothetical protein 0.0031 0.0437 0.0425
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0052 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0561 1
Schistosoma mansoni hypothetical protein 0.0349 0.6246 0.6241
Brugia malayi CXXC zinc finger family protein 0.0031 0.0435 0.0393
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0437 0.0425
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0555 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0052 0.0008
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0437 0.0392
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0052 0.004
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0052 0.004
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0939 1
Brugia malayi beta-lactamase 0.0038 0.0561 0.0519
Schistosoma mansoni cpg binding protein 0.0031 0.0435 0.0424
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0047 0.0034
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0052 0.0008
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0561 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0052 0.0008
Leishmania major hypothetical protein, conserved 0.0038 0.0561 1
Onchocerca volvulus 0.0038 0.0561 0.0511
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0561 0.0549
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0818 0.0807
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Onchocerca volvulus 0.0031 0.0435 0.0385
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0437 0.0395
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0052 0.004
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0052 0.0006
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.0006
Schistosoma mansoni hypothetical protein 0.0555 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0561 1
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0555 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0052 0.0008
Echinococcus multilocularis geminin 0.0349 0.6246 0.6241
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1093 0.1053
Schistosoma mansoni cercarial elastase (S01 family) 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0052 0.0006
Brugia malayi hypothetical protein 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0561 0.0517
Schistosoma mansoni thyroid hormone receptor 0.001 0.0052 0.004
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0052 0.004
Loa Loa (eye worm) hypothetical protein 0.0098 0.1658 0.1618
Brugia malayi nuclear receptor NHR-88 0.001 0.0052 0.0008
Echinococcus multilocularis cpg binding protein 0.0033 0.0468 0.0456
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Schistosoma mansoni hypothetical protein 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0561 0.0517

Activities

Activity type Activity value Assay description Source Reference
Acceptor activity (binding) = 64.2 Electron acceptor activity on bovine milk xanthine oxidase using xanthine as reducing substrate ChEMBL. 15163191
Activity (functional) Bactericidal activity against Mycobacterium tuberculosis H37Rv in GASTD medium at 2 times MIC after 30 days by colony counting ChEMBL. 21940166
CC50 (ADMET) > 100 uM Cytotoxicity against human HeLa cells ChEMBL. 21536434
IC50 (functional) = 43 uM Antimicrobial activity against Mycobacterium tuberculosis H37Rv in GASTD medium supplemented with 100 uM FeCl3 after 10 days by spectrophotometric analysis ChEMBL. 21940166
IC50 (functional) = 43 uM Antimicrobial activity against Mycobacterium tuberculosis H37Rv in GASTD medium after 10 days by spectrophotometric analysis ChEMBL. 21940166
IC50 (functional) > 100 uM Anticancer activity against human HL60 cells ChEMBL. 21536434
MIC90 (functional) = 132 uM Antimicrobial activity against Mycobacterium tuberculosis H37Rv in GASTD medium supplemented with 100 uM FeCl3 after 10 days by spectrophotometric analysis ChEMBL. 21940166
MIC90 (functional) = 222 uM Antimicrobial activity against Mycobacterium tuberculosis H37Rv in GASTD medium after 10 days by spectrophotometric analysis ChEMBL. 21940166
Ratio (functional) = 1 Ratio of MIC90 for Mycobacterium tuberculosis H37Rv in GASTD medium supplemented with 100 uM FeCl3 to MIC90 for Mycobacterium tuberculosis H37Rv in Fe-deficient GASTD medium ChEMBL. 21940166
Ratio IC50 (functional) = 1 Ratio of IC50 for Mycobacterium tuberculosis H37Rv in GASTD medium supplemented with 100 uM FeCl3 to IC50 for Mycobacterium tuberculosis H37Rv in Fe-deficient GASTD medium ChEMBL. 21940166

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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