Detailed information for compound 1515581

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.388 | Formula: C22H17N3O4
  • H donors: 0 H acceptors: 4 LogP: 4.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1nc2cc(ccc2nc1c1cccc(c1)OC)[N+](=O)[O-]
  • InChi: 1S/C22H17N3O4/c1-28-17-7-3-5-14(11-17)21-22(15-6-4-8-18(12-15)29-2)24-20-13-16(25(26)27)9-10-19(20)23-21/h3-13H,1-2H3
  • InChiKey: LWBFXTOCHYGBNB-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
Brugia malayi Bromodomain containing protein 0.0076 0.3811 0.3629
Schistosoma mansoni polycystin 1-related 0.0061 0.285 0.285
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.2229 0.2324
Schistosoma mansoni lipoxygenase 0.0061 0.285 0.285
Plasmodium falciparum LCCL domain-containing protein 0.0061 0.285 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.9593 0.9593
Onchocerca volvulus 0.0061 0.285 0.497
Loa Loa (eye worm) hypothetical protein 0.0034 0.112 0.1167
Echinococcus multilocularis lipoxygenase domain containing protein 0.0061 0.285 0.285
Schistosoma mansoni lamin 0.0027 0.0652 0.0652
Schistosoma mansoni hypothetical protein 0.0034 0.112 0.112
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2157 0.2248
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.2229 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.2229 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2229 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.285 0.2972
Brugia malayi MAP kinase sur-1 0.0051 0.2229 0.1887
Schistosoma mansoni intermediate filament proteins 0.0027 0.0652 0.0652
Echinococcus granulosus RUN 0.0061 0.285 0.285
Echinococcus granulosus lipoxygenase domain containing protein 0.0061 0.285 0.285
Loa Loa (eye worm) hypothetical protein 0.0071 0.3529 0.3679
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.2229 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0652 0.068
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1241 0.1241
Schistosoma mansoni zinc finger protein 0.002 0.0166 0.0166
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.2229 1
Brugia malayi hypothetical protein 0.0061 0.285 0.2571
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.673 0.7015
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.9593 0.9593
Loa Loa (eye worm) hypothetical protein 0.0039 0.1402 0.1461
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.1256 0.1256
Brugia malayi Bromodomain containing protein 0.0039 0.1397 0.097
Echinococcus multilocularis RUN 0.0061 0.285 0.285
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.2229 0.2229
Brugia malayi Doublecortin family protein 0.0061 0.285 0.2571
Onchocerca volvulus 0.0095 0.5075 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0061 0.285 0.285
Schistosoma mansoni alpha-glucosidase 0.0141 0.8101 0.8101
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.1256 0.0815
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.004 0.0042
Schistosoma mansoni loxhd1 0.0061 0.285 0.285
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.2229 0.2229
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.9593 1
Schistosoma mansoni bromodomain containing protein 0.0064 0.304 0.304
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.2229 1
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.2229 0.2229
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.2229 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0652 0.0149
Schistosoma mansoni alpha-glucosidase 0.0141 0.8101 0.8101
Echinococcus granulosus lamin dm0 0.0027 0.0652 0.0652
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1241 0.1241
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0652 0.068
Loa Loa (eye worm) hypothetical protein 0.0043 0.1683 0.1755
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0361 0.0361
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2229 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0361 0.0361
Echinococcus granulosus Polycystic kidney disease protein 0.0061 0.285 0.285
Schistosoma mansoni hypothetical protein 0.0061 0.285 0.285
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.112 0.0664
Echinococcus granulosus lipoxygenase domain containing protein 0.0061 0.285 0.285
Brugia malayi intermediate filament protein 0.0027 0.0652 0.0149
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.2805 0.2805
Echinococcus granulosus zinc finger protein 0.002 0.0166 0.0166
Loa Loa (eye worm) doublecortin family protein 0.0061 0.285 0.2972
Schistosoma mansoni rab6-interacting 0.0061 0.285 0.285
Schistosoma mansoni hypothetical protein 0.0021 0.0235 0.0235
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.1256 0.5
Echinococcus multilocularis lamin dm0 0.0027 0.0652 0.0652
Loa Loa (eye worm) hypothetical protein 0.005 0.2157 0.2248
Schistosoma mansoni alpha glucosidase 0.0036 0.1256 0.1256
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.2805 0.2805
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.2229 0.2229
Plasmodium vivax multidomain scavenger receptor, putative 0.0061 0.285 0.5
Echinococcus granulosus lamin 0.0027 0.0652 0.0652
Echinococcus multilocularis zinc finger protein 0.002 0.0166 0.0166
Echinococcus multilocularis lamin 0.0027 0.0652 0.0652
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.9593 0.9593
Schistosoma mansoni rab6-interacting 0.0061 0.285 0.285
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.2229 0.2229
Trypanosoma brucei protein kinase, putative 0.0051 0.2229 1
Onchocerca volvulus 0.0061 0.285 0.497
Loa Loa (eye worm) hypothetical protein 0.0027 0.062 0.0646
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.1256 0.1309
Loa Loa (eye worm) hypothetical protein 0.0041 0.1557 0.1624
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2229 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.1256 0.5
Echinococcus multilocularis musashi 0.0027 0.0652 0.0652
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0361 0.0361
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2157 0.1807
Echinococcus multilocularis lipoxygenase domain containing protein 0.0061 0.285 0.285
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.2229 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0652 0.0652
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0235 0.0245
Schistosoma mansoni lamin 0.0027 0.0652 0.0652
Brugia malayi hypothetical protein 0.0061 0.285 0.2571
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.2229 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.9593 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.673 0.7015
Loa Loa (eye worm) hypothetical protein 0.0061 0.285 0.2972
Brugia malayi MH2 domain containing protein 0.012 0.673 0.6845
Loa Loa (eye worm) hypothetical protein 0.0027 0.0652 0.068
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.2229 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.1256 0.1256
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.2229 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2157 0.1807

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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