Detailed information for compound 351167

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 279.293 | Formula: C16H13N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.5 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1Oc2c(O1)cc(cc2)CNc1ccc2c(c1)nccn2
  • InChi: 1S/C16H13N3O2/c1-4-15-16(21-10-20-15)7-11(1)9-19-12-2-3-13-14(8-12)18-6-5-17-13/h1-8,19H,9-10H2
  • InChiKey: SCTYSBCRRWQQNA-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
Echinococcus multilocularis glutamate receptor 2 0.0012 0.0328 0.0328
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0007 0.0054 0.034
Schistosoma mansoni hypothetical protein 0.0007 0.0054 0.0054
Schistosoma mansoni glutamate receptor NMDA 0.0012 0.0328 0.0328
Echinococcus granulosus methyl CpG binding domain protein 2 0.0008 0.0087 0.0087
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0017 0.0564 0.0564
Schistosoma mansoni glutamate receptor kainate 0.0012 0.0328 0.0328
Loa Loa (eye worm) hypothetical protein 0.0007 0.0054 0.0376
Echinococcus multilocularis glutamate receptor 2 0.0019 0.0672 0.0672
Onchocerca volvulus 0.0013 0.0382 1
Echinococcus granulosus glutamate receptor 2 0.0019 0.0672 0.0672
Loa Loa (eye worm) bromodomain containing protein 0.0008 0.0102 0.0707
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0019 0.0672 0.0672
Loa Loa (eye worm) hypothetical protein 0.0023 0.0916 0.6345
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0007 0.0054 0.0054
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0012 0.0328 0.0328
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0012 0.0328 0.0328
Trypanosoma cruzi ISWI complex protein 0.0007 0.0042 0.7695
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0019 0.0672 0.0672
Schistosoma mansoni zinc finger protein 0.0007 0.0042 0.0042
Loa Loa (eye worm) isocitrate dehydrogenase 0.0007 0.0055 0.038
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0008 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0033 0.1444 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0019 0.0672 0.0672
Brugia malayi CXXC zinc finger family protein 0.0013 0.0382 0.2395
Schistosoma mansoni hypothetical protein 0.0012 0.0328 0.0328
Trypanosoma cruzi ISWI complex protein 0.0007 0.0042 0.7695
Brugia malayi Glutamate receptor 2 precursor 0.0012 0.0328 0.2056
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0019 0.0672 0.0672
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0007 0.0055 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0626 0.4334
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0012 0.0328 0.0328
Schistosoma mansoni hypothetical protein 0.0007 0.0054 0.0054
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0007 0.0055 0.0055
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0032 0.1379 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0013 0.0382 0.2643
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0007 0.0055 0.0055
Schistosoma mansoni methyl-cpg binding protein mbd 0.0008 0.0087 0.0087
Echinococcus granulosus nmda type glutamate receptor 0.0104 0.5321 0.5321
Schistosoma mansoni glutamate receptor NMDA 0.0079 0.3942 0.3942
Schistosoma mansoni hypothetical protein 0.0007 0.0042 0.0042
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0007 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0019 0.0686 0.4748
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0008 0.0102 0.0102
Schistosoma mansoni hypothetical protein 0.0016 0.0517 0.0517
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0023 0.0916 0.6345
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0007 0.0055 1
Schistosoma mansoni bromodomain containing protein 0.003 0.1297 0.1297
Chlamydia trachomatis glutamine binding protein 0.0032 0.1379 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0007 0.0054 0.0054
Schistosoma mansoni zinc finger protein 0.001 0.0192 0.0192
Echinococcus multilocularis dnaJ subfamily B 0.0191 1 1
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0012 0.0328 0.0328
Schistosoma mansoni hypothetical protein 0.0191 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0026 0.1091 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0007 0.0055 0.0055
Echinococcus multilocularis NMDA receptor 0.0012 0.0328 0.0328
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0011 0.0267 0.0267
Schistosoma mansoni hypothetical protein 0.001 0.0177 0.0177
Brugia malayi Calcitonin receptor-like protein seb-1 0.0023 0.0916 0.5749
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0019 0.0672 0.0672
Loa Loa (eye worm) hypothetical protein 0.0016 0.0517 0.3582
Schistosoma mansoni methyl-cpg binding protein mbd 0.0008 0.0087 0.0087
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0007 0.0055 0.5
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0012 0.0328 0.0328
Echinococcus granulosus zinc finger protein 0.001 0.0192 0.0192
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0007 0.0054 0.0054
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0032 0.1379 0.4105
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0007 0.0055 0.0055
Schistosoma mansoni glutamate receptor AMPA 0.0012 0.0328 0.0328
Entamoeba histolytica hypothetical protein 0.0006 0 0.5
Brugia malayi Bromodomain containing protein 0.0036 0.1594 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0007 0.0055 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0007 0.0054 0.0054
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0012 0.0328 0.0328
Brugia malayi Glutamate receptor 1 precursor 0.0012 0.0328 0.2056
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0007 0.0055 0.5
Echinococcus multilocularis cpg binding protein 0.0015 0.0471 0.0471
Echinococcus granulosus GPCR family 2 0.0007 0.0054 0.0054
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0008 0.0087 0.0087
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0044 0.2051 0.2051
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0029 0.1207 0.1207
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0011 0.0267 0.0267
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0019 0.0672 0.0672
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0019 0.0672 0.0672
Mycobacterium ulcerans epoxide hydrolase EphA 0.0067 0.3279 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0012 0.0328 0.0328
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0008 0.0102 0.0102
Schistosoma mansoni cpg binding protein 0.0015 0.0471 0.0471
Echinococcus multilocularis zinc finger protein 0.001 0.0192 0.0192
Loa Loa (eye worm) PHD-finger family protein 0.001 0.0177 0.1227
Brugia malayi Latrophilin receptor protein 2 0.0007 0.0054 0.034
Schistosoma mansoni ATP-binding cassette transporter 0.0012 0.0328 0.0328
Echinococcus multilocularis GPCR, family 2 0.0007 0.0054 0.0054
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0023 0.0916 0.5749
Schistosoma mansoni hypothetical protein 0.0007 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0008 0.0102 0.071
Echinococcus multilocularis glutamate receptor NMDA 0.006 0.2925 0.2925
Leishmania major hypothetical protein, conserved 0.0007 0.0042 0.7695
Schistosoma mansoni cpg binding protein 0.0015 0.0471 0.0471
Brugia malayi Bromodomain containing protein 0.0018 0.0624 0.3915
Loa Loa (eye worm) glutamate receptor 1 0.0012 0.0328 0.2269
Schistosoma mansoni hypothetical protein 0.0007 0.0054 0.0054
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0032 0.1379 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0028 0.1196 0.1196
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0067 0.3279 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0007 0.0055 1
Echinococcus multilocularis nmda type glutamate receptor 0.0104 0.5321 0.5321
Loa Loa (eye worm) glutamate receptor 2 0.0012 0.0328 0.2269
Brugia malayi isocitrate dehydrogenase 0.0007 0.0055 0.0345
Echinococcus granulosus glutamate receptor NMDA 0.006 0.2925 0.2925
Loa Loa (eye worm) latrophilin receptor protein 2 0.0007 0.0054 0.0376
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0019 0.0672 0.0672
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0029 0.1207 0.1207
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0012 0.0328 0.0328
Echinococcus granulosus glutamate NMDA receptor subunit 0.0012 0.0328 0.0328
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0007 0.0055 0.0055
Echinococcus granulosus nmda type glutamate receptor 0.0067 0.3269 0.3269
Loa Loa (eye worm) hypothetical protein 0.0021 0.0775 0.537
Echinococcus granulosus histone lysine methyltransferase setb 0.0008 0.0102 0.0102
Schistosoma mansoni cpg binding protein 0.0013 0.0382 0.0382
Schistosoma mansoni glutamate receptor AMPA 0.0012 0.0328 0.0328
Brugia malayi Isocitrate dehydrogenase 0.0007 0.0055 0.0345
Echinococcus multilocularis nmda type glutamate receptor 0.0067 0.3269 0.3269
Schistosoma mansoni glutamate receptor kainate 0.0012 0.0328 0.0328
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0007 0.0055 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0007 0.0055 0.0055
Schistosoma mansoni glutamate receptor kainate 0.0012 0.0328 0.0328
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0017 0.0564 0.0564
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0032 0.1379 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0016 0.0517 0.3246
Brugia malayi PHD-finger family protein 0.0012 0.0327 0.205
Echinococcus granulosus fetal alzheimer antigen falz 0.0011 0.0267 0.0267
Echinococcus granulosus cpg binding protein 0.0015 0.0471 0.0471

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 79.5 uM Antiprotozoal activity against Leishmania donovani MHOM/ET/L82/LV9 ChEMBL. 16309903
IC50 (functional) = 79.5 uM Antiprotozoal activity against Leishmania donovani MHOM/ET/L82/LV9 ChEMBL. 16309903
IC50 (functional) > 300 uM Antiprotozoal activity against Trichomonas vaginalis CMP ChEMBL. 16309903
IC50 (functional) > 300 uM Antiprotozoal activity against Trichomonas vaginalis CMP ChEMBL. 16309903
MAC (functional) > 300 uM Antiprotozoal activity against Trypanosoma brucei brucei GVR35 ChEMBL. 16309903
MAC (functional) > 300 uM Antiprotozoal activity against Trypanosoma brucei brucei GVR35 ChEMBL. 16309903

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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