Detailed information for compound 2071057

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.348 | Formula: C14H20N6O2
  • H donors: 1 H acceptors: 4 LogP: 0.25 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1noc(c1)C)CN1CCn2c(C1)nnc2C(C)C
  • InChi: 1S/C14H20N6O2/c1-9(2)14-17-16-12-7-19(4-5-20(12)14)8-13(21)15-11-6-10(3)22-18-11/h6,9H,4-5,7-8H2,1-3H3,(H,15,18,21)
  • InChiKey: WKQKGIHCDPBCMK-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 hypothetical protein 0.0173 0.2201 0.2201
Onchocerca volvulus Netrin receptor homolog 0.0017 0.0097 0.064
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0752 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.005 0.0535 0.0535
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0122 0.1512 1
Schistosoma mansoni hypothetical protein 0.0035 0.034 0.034
Echinococcus multilocularis dihydrofolate reductase 0.005 0.0535 0.0535
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0097 0.0097
Brugia malayi dihydrofolate reductase family protein 0.005 0.0535 0.0535
Echinococcus granulosus survival motor neuron protein 1 0.0173 0.2201 0.2201
Onchocerca volvulus 0.0013 0.004 0.0267
Brugia malayi PAS domain containing protein 0.0018 0.0103 0.0103
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0353 0.4618 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0058 0.0647 0.0641
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0011 0.0007 0.0007
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0172 0.2184 1
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.0097 0.0097
Brugia malayi CHE-14 protein 0.031 0.4036 0.4036
Echinococcus multilocularis Ankyrin 0.0018 0.0099 0.0099
Echinococcus multilocularis transfer RNA-Lys 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.006 0.0668 0.0668
Echinococcus multilocularis geminin 0.0062 0.0699 0.0699
Echinococcus granulosus Protein patched homolog 1 0.031 0.4036 0.4036
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0122 0.1512 0.1512
Onchocerca volvulus 0.0122 0.1512 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0752 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0011 0.0007 0.5
Schistosoma mansoni ap endonuclease 0.0011 0.0007 0.0007
Echinococcus multilocularis Niemann Pick C1 protein 0.031 0.4036 0.4036
Onchocerca volvulus Huntingtin homolog 0.0045 0.0467 0.3089
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0172 0.2184 1
Brugia malayi Dihydrofolate reductase 0.005 0.0535 0.0535
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0122 0.1512 1
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0752 1 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0752 1 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0353 0.4618 1
Echinococcus multilocularis survival motor neuron protein 1 0.0173 0.2201 0.2201
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0035 0.034 0.034
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0172 0.2184 0.2179
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.1062 0.1062
Treponema pallidum exodeoxyribonuclease (exoA) 0.0011 0.0007 0.5
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.0097 0.0097
Echinococcus granulosus netrin receptor unc 5 0.0017 0.0097 0.0097
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0011 0.0007 0.5
Schistosoma mansoni netrin receptor unc5 0.0017 0.0097 0.0097
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0097 0.0097
Mycobacterium ulcerans thymidylate synthase 0.0122 0.1512 0.1506
Loa Loa (eye worm) hypothetical protein 0.0045 0.0467 0.0467
Brugia malayi exodeoxyribonuclease III family protein 0.0011 0.0007 0.0007
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0353 0.4618 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.2201 0.2201
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0011 0.0007 0.0007
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0172 0.2184 0.2179
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0172 0.2184 1
Brugia malayi hypothetical protein 0.006 0.0668 0.0668
Echinococcus granulosus death domain containing protein 0.0017 0.0097 0.0097
Schistosoma mansoni dihydrofolate reductase 0.005 0.0535 0.0535
Echinococcus multilocularis protein patched 0.031 0.4036 0.4036
Echinococcus granulosus Ankyrin 0.0018 0.0099 0.0099
Echinococcus granulosus thymidylate synthase 0.0122 0.1512 0.1512
Onchocerca volvulus 0.0035 0.034 0.2246
Brugia malayi Death domain containing protein 0.0017 0.0097 0.0097
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0647 0.1389
Loa Loa (eye worm) hypothetical protein 0.0017 0.0097 0.0097
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0752 1 1
Brugia malayi hypothetical protein 0.0058 0.0647 0.0647
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.005 0.0535 0.0529
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0752 1 1
Mycobacterium tuberculosis Hypothetical protein 0.0058 0.0647 0.4256
Echinococcus granulosus single minded 2 0.0013 0.004 0.004
Schistosoma mansoni ap endonuclease 0.0011 0.0007 0.0007
Schistosoma mansoni single-minded 0.0018 0.0103 0.0103
Schistosoma mansoni hypothetical protein 0.0019 0.0118 0.0118
Echinococcus granulosus dihydrofolate reductase 0.005 0.0535 0.0535
Schistosoma mansoni patched 1 0.031 0.4036 0.4036
Brugia malayi hypothetical protein 0.0045 0.0467 0.0467
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0018 0.0099 0.0099
Schistosoma mansoni hypothetical protein 0.0062 0.0699 0.0699
Mycobacterium ulcerans putative regulatory protein 0.0013 0.004 0.0034
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0172 0.2184 0.2179
Schistosoma mansoni aryl hydrocarbon receptor 0.0018 0.0103 0.0103
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.031 0.4036 0.4036
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0011 0.0007 0.0007
Schistosoma mansoni survival motor neuron protein 0.0035 0.034 0.034
Brugia malayi bHLH-PAS transcription factor 0.0013 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0018 0.0099 0.0099
Echinococcus granulosus sterol regulatory element binding protein 0.031 0.4036 0.4036
Echinococcus multilocularis netrin receptor unc 5 0.0017 0.0097 0.0097
Brugia malayi hypoxia-induced factor 1 0.0055 0.0605 0.0605
Echinococcus multilocularis protein dispatched 1 0.031 0.4036 0.4036
Loa Loa (eye worm) hypoxia-induced factor 1 0.0055 0.0605 0.0605
Echinococcus granulosus Niemann Pick C1 protein 0.031 0.4036 0.4036
Brugia malayi Uncoordinated protein 44 0.0017 0.0097 0.0097
Chlamydia trachomatis dihydrofolate reductase 0.005 0.0535 0.5
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.0097 0.0097
Onchocerca volvulus Huntingtin homolog 0.0045 0.0467 0.3089
Loa Loa (eye worm) thymidylate synthase 0.0122 0.1512 0.1512
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0752 1 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.005 0.0535 0.3512
Echinococcus granulosus geminin 0.0062 0.0699 0.0699
Schistosoma mansoni niemann-pick C1 (NPC1) 0.031 0.4036 0.4036
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0353 0.4618 1
Echinococcus multilocularis sterol regulatory element binding protein 0.031 0.4036 0.4036
Loa Loa (eye worm) hypothetical protein 0.031 0.4036 0.4036
Loa Loa (eye worm) hypothetical protein 0.0752 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0467 0.0467
Brugia malayi Protein kinase domain containing protein 0.0017 0.0097 0.0097
Brugia malayi thymidylate synthase 0.0122 0.1512 0.1512
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0752 1 1
Echinococcus multilocularis thymidylate synthase 0.0122 0.1512 0.1512
Schistosoma mansoni hypothetical protein 0.0017 0.0097 0.0097
Schistosoma mansoni hypothetical protein 0.0062 0.0699 0.0699
Trichomonas vaginalis conserved hypothetical protein 0.031 0.4036 0.8737
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.1062 0.1062

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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