Detailed information for compound 1755502

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.305 | Formula: C16H12N6O3
  • H donors: 1 H acceptors: 5 LogP: -0.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1cnn2c1n[n+]([O-])c1c2cc(cc1)OCc1ccncc1
  • InChi: 1S/C16H12N6O3/c17-15(23)12-8-19-21-14-7-11(25-9-10-3-5-18-6-4-10)1-2-13(14)22(24)20-16(12)21/h1-8H,9H2,(H2,17,23)
  • InChiKey: CQIWRDLOUULEGB-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 granulosus RUN 0.0016 0.0153 0.0115
Echinococcus granulosus lipoxygenase domain containing protein 0.0016 0.0153 0.0115
Loa Loa (eye worm) hypothetical protein 0.0057 0.1695 0.1984
Echinococcus multilocularis lamin dm0 0.0021 0.0365 0.0327
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0048 0.1348 0.1314
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0018 0.026 0.5
Schistosoma mansoni importin beta-1 0.0023 0.0419 0.0382
Loa Loa (eye worm) hypothetical protein 0.0023 0.0419 0.049
Echinococcus multilocularis lamin 0.0021 0.0365 0.0327
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.0094 0.0056
Echinococcus multilocularis netrin receptor unc 5 0.0014 0.0094 0.0056
Onchocerca volvulus 0.0016 0.0153 0.0321
Echinococcus multilocularis Ankyrin 0.0014 0.0099 0.006
Echinococcus granulosus sodium and chloride dependent glycine 0.0057 0.1695 0.1663
Brugia malayi Death domain containing protein 0.0014 0.0094 0.0149
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.0094 0.0056
Schistosoma mansoni hypothetical protein 0.0243 0.8545 0.8539
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0012 0.0039 0.0061
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0094 0.011
Brugia malayi latrophilin 2 splice variant baaae 0.0027 0.0572 0.0904
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0036 0.0912 0.0876
Schistosoma mansoni hypothetical protein 0.0027 0.0572 0.0535
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0036 0.0912 0.0876
Loa Loa (eye worm) hypothetical protein 0.0027 0.0572 0.0669
Echinococcus multilocularis importin subunit beta 1 0.0023 0.0419 0.0382
Brugia malayi hypothetical protein 0.0064 0.1941 0.3069
Schistosoma mansoni lipoxygenase 0.0044 0.1187 0.1153
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0044 0.1187 0.1153
Echinococcus granulosus nuclear factor of activated T cells 5 0.0071 0.2217 0.2187
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0036 0.0912 0.0876
Echinococcus multilocularis geminin 0.0282 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.1348 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0023 0.0419 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0048 0.1348 1
Schistosoma mansoni hypothetical protein 0.0066 0.2024 0.1993
Brugia malayi RNA, U transporter 1 0.0065 0.1967 0.3111
Echinococcus granulosus lamin dm0 0.0021 0.0365 0.0327
Schistosoma mansoni jun-related protein 0.0066 0.2024 0.1993
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0021 0.0365 0.0427
Loa Loa (eye worm) hypothetical protein 0.0039 0.1031 0.1207
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0094 0.0149
Schistosoma mansoni netrin receptor unc5 0.0014 0.0094 0.0056
Brugia malayi follicle stimulating hormone receptor 0.0183 0.6325 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0057 0.1695 0.1663
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0071 0.2217 0.2187
Brugia malayi Calcitonin receptor-like protein seb-1 0.0039 0.1031 0.163
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0057 0.1695 0.268
Entamoeba histolytica hypothetical protein 0.0018 0.026 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0153 0.018
Echinococcus granulosus Ankyrin 0.0014 0.0099 0.006
Echinococcus multilocularis snurportin 1 0.0243 0.8545 0.8539
Schistosoma mansoni hypothetical protein 0.0282 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0036 0.0912 0.0876
Echinococcus multilocularis tumor protein p63 0.0267 0.9421 0.9419
Echinococcus granulosus lipoxygenase domain containing protein 0.0016 0.0153 0.0115
Schistosoma mansoni polycystin 1-related 0.0016 0.0153 0.0115
Brugia malayi Protein kinase domain containing protein 0.0014 0.0094 0.0149
Echinococcus granulosus snurportin 1 0.0243 0.8545 0.8539
Echinococcus multilocularis Polycystic kidney disease protein 0.0016 0.0153 0.0115
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.2587 0.2558
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.1348 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0044 0.1187 0.1153
Echinococcus granulosus tumor protein p63 0.0267 0.9421 0.9419
Schistosoma mansoni lamin 0.0021 0.0365 0.0327
Brugia malayi Doublecortin family protein 0.0016 0.0153 0.0243
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0036 0.0912 0.1067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0036 0.0912 0.0876
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0057 0.1695 0.1984
Loa Loa (eye worm) hypothetical protein 0.0021 0.0365 0.0427
Schistosoma mansoni hypothetical protein 0.0282 1 1
Onchocerca volvulus 0.0064 0.1941 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0048 0.1348 1
Onchocerca volvulus 0.0021 0.0365 0.1465
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0048 0.1348 0.5
Loa Loa (eye worm) doublecortin family protein 0.0016 0.0153 0.018
Brugia malayi Importin beta-1 subunit 0.0023 0.0419 0.0663
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0036 0.0912 0.1441
Schistosoma mansoni hypothetical protein 0.0016 0.0153 0.0115
Echinococcus multilocularis sodium and chloride dependent glycine 0.0057 0.1695 0.1663
Trypanosoma cruzi importin beta-1 subunit, putative 0.0018 0.026 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.2587 0.2558
Echinococcus granulosus sodium and chloride dependent glycine 0.0057 0.1695 0.1663
Echinococcus multilocularis lipoxygenase domain containing protein 0.0016 0.0153 0.0115
Loa Loa (eye worm) hypothetical protein 0.0014 0.0099 0.0115
Brugia malayi intermediate filament protein 0.0021 0.0365 0.0577
Echinococcus granulosus lamin 0.0021 0.0365 0.0327
Trichomonas vaginalis importin beta-1, putative 0.0018 0.026 0.5
Brugia malayi bZIP transcription factor family protein 0.0082 0.2587 0.409
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0036 0.0912 0.0876
Schistosoma mansoni loxhd1 0.0016 0.0153 0.0115
Brugia malayi Intermediate filament tail domain containing protein 0.0021 0.0365 0.0577
Loa Loa (eye worm) hypothetical protein 0.0014 0.0094 0.011
Echinococcus granulosus jun protein 0.0082 0.2587 0.2558
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0018 0.026 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.1348 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0153 0.018
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0183 0.6325 0.7402
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0099 0.006
Echinococcus multilocularis RUN 0.0016 0.0153 0.0115
Echinococcus granulosus netrin receptor unc 5 0.0014 0.0094 0.0056
Echinococcus granulosus death domain containing protein 0.0014 0.0094 0.0056
Schistosoma mansoni aldehyde dehydrogenase 0.0048 0.1348 0.1314
Schistosoma mansoni lipoxygenase 0.0016 0.0153 0.0115
Schistosoma mansoni intermediate filament proteins 0.0021 0.0365 0.0327
Schistosoma mansoni cellular tumor antigen P53 0.0039 0.102 0.0985
Loa Loa (eye worm) hypothetical protein 0.0021 0.035 0.041
Echinococcus multilocularis sodium and chloride dependent glycine 0.0057 0.1695 0.1663
Plasmodium vivax importin-beta 2, putative 0.0023 0.0419 1
Schistosoma mansoni aldehyde dehydrogenase 0.0048 0.1348 0.1314
Brugia malayi Latrophilin receptor protein 2 0.0012 0.0039 0.0061
Brugia malayi hypothetical protein 0.0016 0.0153 0.0243
Loa Loa (eye worm) intermediate filament protein 0.0021 0.0365 0.0427
Echinococcus granulosus intermediate filament protein 0.0021 0.0365 0.0327
Loa Loa (eye worm) hypothetical protein 0.0079 0.2505 0.2931
Onchocerca volvulus 0.0016 0.0153 0.0321
Schistosoma mansoni rab6-interacting 0.0016 0.0153 0.0115
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0243 0.8545 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.102 0.1193
Schistosoma mansoni sodium/chloride dependent transporter 0.0057 0.1695 0.1663
Schistosoma mansoni lamin 0.0021 0.0365 0.0327
Loa Loa (eye worm) latrophilin receptor protein 2 0.0012 0.0039 0.0045
Brugia malayi hypothetical protein 0.0016 0.0153 0.0243
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0039 0.1031 0.163
Echinococcus granulosus importin subunit beta 1 0.0023 0.0419 0.0382
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0039 0.1031 0.1207
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0036 0.0912 0.0876
Trypanosoma brucei importin beta-1 subunit, putative 0.0023 0.0419 0.5
Echinococcus granulosus Polycystic kidney disease protein 0.0016 0.0153 0.0115
Onchocerca volvulus 0.0039 0.102 0.5011
Brugia malayi Uncoordinated protein 44 0.0014 0.0094 0.0149
Echinococcus multilocularis jun protein 0.0082 0.2587 0.2558
Schistosoma mansoni rab6-interacting 0.0016 0.0153 0.0115
Loa Loa (eye worm) hypothetical protein 0.0057 0.1695 0.1984
Onchocerca volvulus 0.0021 0.0365 0.1465
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0048 0.1348 0.1314
Plasmodium falciparum importin beta, putative 0.0023 0.0419 1
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.0094 0.0056
Schistosoma mansoni hypothetical protein 0.0014 0.0094 0.0056
Echinococcus multilocularis musashi 0.0021 0.0365 0.0327
Echinococcus multilocularis lipoxygenase domain containing protein 0.0016 0.0153 0.0115
Loa Loa (eye worm) hypothetical protein 0.0012 0.0039 0.0045

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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