Detailed information for compound 2063264

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.368 | Formula: C16H19N7O
  • H donors: 1 H acceptors: 5 LogP: 1.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nn2c(n1)CCC(C2)NCc1onc(n1)c1cccnc1
  • InChi: 1S/C16H19N7O/c1-2-13-19-14-6-5-12(10-23(14)21-13)18-9-15-20-16(22-24-15)11-4-3-7-17-8-11/h3-4,7-8,12,18H,2,5-6,9-10H2,1H3
  • InChiKey: FCCCUVDJNHTOMJ-UHFFFAOYSA-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 Beta-glucuronidase precursor 0.0192 0.5347 0.5347
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0283 0.0234
Loa Loa (eye worm) hypoxia-induced factor 1 0.0318 0.9184 0.9184
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0462 0.0462
Echinococcus multilocularis lamin 0.0033 0.0462 0.0696
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.4115 1
Trichomonas vaginalis glycoside hydrolase, putative 0.0192 0.5347 1
Brugia malayi Cytochrome P450 family protein 0.002 0.0091 0.0091
Mycobacterium leprae Possible regulatory protein 0.0027 0.0283 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.0462 0.0696
Echinococcus multilocularis lamin dm0 0.0033 0.0462 0.0696
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0027 0.0283 1
Echinococcus multilocularis beta mannosidase 0.0139 0.3717 0.8218
Loa Loa (eye worm) manba-prov protein 0.0139 0.3717 0.3717
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0027 0.0283 0.0234
Toxoplasma gondii exonuclease III APE 0.0023 0.0161 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0027 0.0283 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0161 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0462 0.0462
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.4488 1
Onchocerca volvulus 0.0076 0.179 1
Echinococcus granulosus lamin dm0 0.0033 0.0462 0.0762
Schistosoma mansoni lamin 0.0033 0.0462 0.0696
Schistosoma mansoni beta-mannosidase 0.0139 0.3717 0.8218
Brugia malayi bHLH-PAS transcription factor 0.0076 0.179 0.179
Brugia malayi manba-prov protein 0.0331 0.9597 0.9597
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0027 0.0283 1
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0027 0.0283 0.0234
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0462 0.0462
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0091 0.0091
Brugia malayi intermediate filament protein 0.0033 0.0462 0.0462
Trichomonas vaginalis conserved hypothetical protein 0.0192 0.5347 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0103 0.2606 0.5651
Loa Loa (eye worm) hypothetical protein 0.0027 0.0283 0.0283
Schistosoma mansoni single-minded 0.0103 0.2606 0.5651
Echinococcus multilocularis transfer RNA-Lys 0.0076 0.179 0.3765
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0027 0.0283 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0161 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0161 0.5
Trichomonas vaginalis beta-mannosidase, putative 0.0139 0.3717 0.6857
Brugia malayi hypoxia-induced factor 1 0.0318 0.9184 0.9184
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0161 0.5
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0027 0.0283 0.0307
Trichomonas vaginalis beta-galactosidase, putative 0.0192 0.5347 1
Leishmania major protein kinase, putative 0.0027 0.0283 1
Echinococcus multilocularis musashi 0.0033 0.0462 0.0696
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0161 0.0161
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0161 0.5
Brugia malayi PAS domain containing protein 0.0103 0.2606 0.2606
Echinococcus granulosus lamin 0.0033 0.0462 0.0762
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0027 0.0283 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.4488 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0027 0.0283 0.0234
Onchocerca volvulus 0.0033 0.0462 0.1193
Echinococcus granulosus intermediate filament protein 0.0033 0.0462 0.0762
Leishmania major protein kinase, putative 0.0027 0.0283 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0027 0.0283 0.0307
Trichomonas vaginalis guanylate cyclase, putative 0.0027 0.0283 0.0234
Trichomonas vaginalis guanylate cyclase, putative 0.0027 0.0283 0.0234
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0027 0.0283 0.5
Schistosoma mansoni thyroid hormone receptor 0.0164 0.4488 1
Echinococcus granulosus beta mannosidase 0.0139 0.3717 0.8993
Loa Loa (eye worm) hypothetical protein 0.0032 0.0444 0.0444
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0027 0.0283 0.0234
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0283 0.0234
Loa Loa (eye worm) beta-glucuronidase 0.0192 0.5347 0.5347
Loa Loa (eye worm) hypothetical protein 0.0033 0.0462 0.0462
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0161 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0283 0.0234
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0161 0.5
Trichomonas vaginalis adenylate cyclase, putative 0.0027 0.0283 0.0234
Echinococcus granulosus single minded 2 0.0076 0.179 0.412
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0161 0.0161
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0027 0.0283 0.0283
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.4115 0.9138
Mycobacterium ulcerans putative regulatory protein 0.0076 0.179 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0027 0.0283 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0027 0.0283 0.0234
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0027 0.0283 0.0281
Echinococcus multilocularis aryl hydrocarbon receptor 0.0027 0.0283 0.0281
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0161 0.5
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0027 0.0283 1
Onchocerca volvulus 0.0033 0.0462 0.1193
Schistosoma mansoni hypothetical protein 0.0152 0.4115 0.9138
Schistosoma mansoni lamin 0.0033 0.0462 0.0696

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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