Detailed information for compound 2074858

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.301 | Formula: C14H15N5O2
  • H donors: 1 H acceptors: 5 LogP: 2.14 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(n1)C)c1c(C)nn2c1nc(C)nc2O
  • InChi: 1S/C14H15N5O2/c1-7-10(5-6-11(15-7)21-4)12-8(2)18-19-13(12)16-9(3)17-14(19)20/h5-6H,1-4H3,(H,16,17,20)
  • InChiKey: AKVTYQJJYYHVBD-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
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0368 1 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0042 0.0216 0.0216
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0368 1 1
Brugia malayi proteasome subunit beta type 2 0.0051 0.05 0.05
Plasmodium vivax proteasome subunit beta type-5, putative 0.0368 1 1
Giardia lamblia Proteasome subunit beta type 1 0.0069 0.1019 0.1019
Plasmodium falciparum proteasome subunit beta type-5 0.0368 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0051 0.05 0.05
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0042 0.0216 0.0216
Giardia lamblia Proteasome subunit beta type 2 0.0051 0.05 0.05
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0069 0.1019 0.1019
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0042 0.0216 0.0216
Onchocerca volvulus 0.0069 0.1017 1
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0069 0.1019 0.1019
Plasmodium vivax proteasome subunit beta type-2, putative 0.0051 0.05 0.05
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0042 0.0216 0.0216
Toxoplasma gondii proteasome subunit beta type, putative 0.0368 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0042 0.0216 0.0216
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0069 0.1019 0.1019
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0051 0.05 0.05
Brugia malayi proteasome subunit beta type 1 0.0069 0.1019 0.1019
Mycobacterium ulcerans proteasome PrcB 0.0368 1 1
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0069 0.1019 0.1019
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0051 0.05 0.05
Loa Loa (eye worm) lipase 0.0069 0.1017 0.1017
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0368 1 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0368 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.0069 0.1019 0.1019
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0051 0.05 0.05
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0368 1 1
Echinococcus granulosus proteasome prosome macropain 0.0368 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0069 0.1017 0.1017
Leishmania major hypothetical protein, conserved 0.0069 0.1017 0.1017
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0069 0.1019 0.1019
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0069 0.1017 0.1017
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0069 0.1019 0.1019
Trypanosoma cruzi hypothetical protein, conserved 0.0069 0.1017 0.1017
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0042 0.0216 0.0216
Trichomonas vaginalis lipase containing protein, putative 0.0069 0.1017 0.1017
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0069 0.1019 0.1019
Leishmania major proteasome beta 2 subunit, putative 0.0051 0.05 0.05
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0051 0.05 0.05
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0368 1 1
Trichomonas vaginalis lipase containing protein, putative 0.0069 0.1017 0.1017
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0069 0.1019 0.1019
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0051 0.05 0.05
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0368 1 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0051 0.05 0.05
Echinococcus multilocularis proteasome (prosome, macropain) 0.0368 1 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0069 0.1017 0.1017
Trypanosoma brucei lipase domain protein, putative 0.0069 0.1017 0.1017
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0035 0 0.5
Trypanosoma brucei lipase domain protein, putative 0.0069 0.1017 0.1017
Loa Loa (eye worm) proteasome subunit beta type 2 0.0051 0.05 0.05
Loa Loa (eye worm) proteasome subunit beta type 1 0.0069 0.1019 0.1019
Leishmania major proteasome beta 5 subunit, putative 0.0368 1 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.0069 0.1019 0.1019
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0368 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0051 0.05 0.05
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0042 0.0216 0.0216
Brugia malayi Lipase family protein 0.0069 0.1017 0.1017
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0368 1 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0039 0.0131 0.0131
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0368 1 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0051 0.05 0.05
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0051 0.05 0.05
Trypanosoma cruzi 20S proteasome subunit 0.0051 0.05 0.05
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0042 0.0216 0.0216
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0051 0.05 0.05
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0069 0.1019 0.1019
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0069 0.1019 0.1019

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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