Detailed information for compound 35447

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 249.272 | Formula: C10H15N7O
  • H donors: 3 H acceptors: 5 LogP: -0.58 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]1CCC[C@@H]1n1nnc2c1nc(N)nc2N
  • InChi: 1S/C10H15N7O/c11-8-7-9(14-10(12)13-8)17(16-15-7)6-3-1-2-5(6)4-18/h5-6,18H,1-4H2,(H4,11,12,13,14)/t5-,6-/m0/s1
  • InChiKey: AXPTXRYJQIGLBJ-WDSKDSINSA-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
Plasmodium vivax geranylgeranyl transferase type2 beta subunit, putative 0.024 0.2526 0.2526
Plasmodium falciparum plasmepsin IX 0.0023 0.0005 0.0005
Entamoeba histolytica Ras family GTPase 0.0594 0.6616 0.6616
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0023 0.0005 0.0005
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.024 0.2526 0.2526
Trypanosoma cruzi lanosterol synthase, putative 0.0766 0.8611 0.8611
Plasmodium vivax aspartyl protease, putative 0.0023 0.0005 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.037 0.4027 0.4027
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0095 0.0848 0.0848
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0023 0.0005 0.0005
Trichomonas vaginalis GTP-binding protein rit, putative 0.0594 0.6616 0.6616
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.037 0.4027 0.4027
Plasmodium vivax aspartyl protease, putative 0.0023 0.0005 0.0005
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0751 0.8441 0.8441
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.024 0.2526 0.2526
Loa Loa (eye worm) hypothetical protein 0.0594 0.6616 0.6616
Toxoplasma gondii Rab geranylgeranyl transferase type II beta subunit, putative 0.024 0.2526 0.2526
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0381 0.4158 0.4158
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0886 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0886 1 1
Entamoeba histolytica Ras family GTPase 0.0594 0.6616 0.6616
Plasmodium vivax aspartyl protease, putative 0.0023 0.0005 0.0005
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.024 0.2526 0.2526
Plasmodium vivax plasmepsin V, putative 0.0023 0.0005 0.0005
Trypanosoma brucei geranylgeranyl transferase type II beta subunit, putative 0.024 0.2526 0.2526
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.037 0.4027 0.4027
Plasmodium falciparum plasmepsin VII 0.0023 0.0005 0.0005
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0023 0.0005 0.0005
Trypanosoma cruzi lanosterol synthase, putative 0.0766 0.8611 0.8611
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.037 0.4027 0.4027
Echinococcus multilocularis ras gtpase 0.0594 0.6616 0.6616
Leishmania major protein farnesyltransferase alpha subunit, putative 0.037 0.4027 0.4027
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0751 0.8441 0.8441
Plasmodium falciparum plasmepsin X 0.0023 0.0005 0.0005
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.037 0.4027 0.4027
Trypanosoma brucei hypothetical protein, conserved 0.037 0.4027 0.4027
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0751 0.8441 0.8441
Toxoplasma gondii aspartyl protease ASP1 0.0095 0.0848 0.0848
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0886 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0005 0.0005
Toxoplasma gondii hypothetical protein 0.037 0.4027 0.4027
Plasmodium falciparum plasmepsin III 0.0023 0.0005 0.0005
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0751 0.8441 0.8441
Entamoeba histolytica ras-1, putative 0.0594 0.6616 0.6616
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.024 0.2526 0.2526
Trypanosoma cruzi protein farnesyltransferase, putative 0.0886 1 1
Trichomonas vaginalis ral, putative 0.0594 0.6616 0.6616
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0023 0.0005 0.0005
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0095 0.0848 0.0848
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.024 0.2526 0.2526
Trypanosoma brucei lanosterol synthase 0.0766 0.8611 0.8611
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.037 0.4027 0.4027
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0751 0.8441 0.8441
Trypanosoma cruzi hypothetical protein, conserved 0.024 0.2526 0.2526
Onchocerca volvulus 0.0023 0.0005 0.0013
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.037 0.4027 0.4027
Loa Loa (eye worm) aspartyl protease 6 0.0023 0.0005 0.0005
Leishmania major farnesyltransferase beta subunit 0.0886 1 1
Trichomonas vaginalis protein farnesyltransferase beta subunit, putative 0.024 0.2526 0.2526
Plasmodium falciparum plasmepsin VI 0.0095 0.0848 0.0848
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0023 0.0005 0.0005
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.037 0.4027 0.4027
Schistosoma mansoni memapsin-2 (A01 family) 0.0023 0.0005 0.0005
Brugia malayi Eukaryotic aspartyl protease family protein 0.0023 0.0005 0.0005
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0095 0.0848 0.0848
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0751 0.8441 0.8441
Loa Loa (eye worm) hypothetical protein 0.0751 0.8441 0.8441
Brugia malayi aspartic protease BmAsp-1, identical 0.0023 0.0005 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.024 0.2526 0.2526
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0886 1 1
Echinococcus granulosus ras gtpase 0.0594 0.6616 0.6616
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0886 1 1
Echinococcus granulosus protein farnesyltransferase subunit beta 0.0886 1 1
Plasmodium vivax aspartyl proteinase, putative 0.0023 0.0005 0.0005
Loa Loa (eye worm) Ras protein let-60 0.0594 0.6616 0.6616
Plasmodium falciparum plasmepsin VIII, putative 0.0023 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0023 0.0005 0.0005
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0886 1 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0045 0.0269 0.0269
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.037 0.4027 0.4027
Brugia malayi aspartic protease BmAsp-2, identical 0.0023 0.0005 0.0005
Toxoplasma gondii aspartyl protease 0.0023 0.0005 0.0005
Trypanosoma cruzi hypothetical protein, conserved 0.037 0.4027 0.4027
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0751 0.8441 0.8441
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.024 0.2526 0.2526
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.024 0.2526 0.2526
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0023 0.0005 0.0005
Echinococcus multilocularis sodium channel protein 0.0045 0.0269 0.0269
Trichomonas vaginalis ras-dva small GTPase, putative 0.0594 0.6616 0.6616
Echinococcus granulosus protein prenyltransferase alpha subunit 0.037 0.4027 0.4027
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0023 0.0005 0.0005
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0886 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0751 0.8441 0.8441
Brugia malayi Probable protein farnesyltransferase beta subunit, putative 0.024 0.2526 0.2526
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.037 0.4027 0.4027
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.037 0.4027 0.4027
Echinococcus granulosus sodium channel protein 0.0045 0.0269 0.0269
Plasmodium falciparum geranylgeranyltransferase, putative 0.024 0.2526 0.2526
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0095 0.0848 0.0848
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0023 0.0005 0.0005
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.024 0.2526 0.2526
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0886 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.037 0.4027 0.4027
Brugia malayi Pepsin A precursor 0.0023 0.0005 0.0005
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0886 1 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0751 0.8441 0.8441
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0751 0.8441 0.8441
Trichomonas vaginalis dexras1, putative 0.0594 0.6616 0.6616
Echinococcus multilocularis Rab geranylgeranyltransferase, beta subunit 0.024 0.2526 0.2526
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0095 0.0848 0.0848
Trypanosoma cruzi protein farnesyltransferase, putative 0.0886 1 1
Schistosoma mansoni cathepsin D (A01 family) 0.0281 0.3 0.3
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0751 0.8441 0.8441
Trypanosoma cruzi geranylgeranyl transferase type II beta subunit, putative 0.024 0.2526 0.2526
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0023 0.0005 0.0005
Plasmodium falciparum geranylgeranyl transferase type2 beta subunit, putative 0.024 0.2526 0.2526
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.037 0.4027 0.4027
Schistosoma mansoni cathepsin D (A01 family) 0.0281 0.3 0.3
Schistosoma mansoni geranylgeranyl transferase type II beta subunit 0.024 0.2526 0.2526
Brugia malayi hypothetical protein 0.0023 0.0005 0.0005
Plasmodium falciparum plasmepsin II 0.0095 0.0848 0.0848
Plasmodium vivax aspartyl proteinase, putative 0.0095 0.0848 0.0848
Onchocerca volvulus 0.0023 0.0005 0.0013
Brugia malayi Ras-related protein R-Ras2 0.0594 0.6616 0.6616
Plasmodium vivax geranylgeranyltransferase, putative 0.024 0.2526 0.2526
Plasmodium falciparum plasmepsin V 0.0023 0.0005 0.0005
Giardia lamblia Prenyltransferase 0.0886 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.037 0.4027 0.2008
Toxoplasma gondii hypothetical protein 0.0381 0.4158 0.4158
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0886 1 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.0848 0.0848
Plasmodium vivax plasmepsin IV, putative 0.0095 0.0848 0.0848
Toxoplasma gondii aspartyl protease ASP3 0.0023 0.0005 0.0005
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0886 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0023 0.0005 0.0005
Leishmania major geranylgeranyltransferase, putative 0.024 0.2526 0.2526
Trichomonas vaginalis rap1 and, putative 0.0594 0.6616 0.6616
Plasmodium falciparum plasmepsin I 0.0095 0.0848 0.0848
Entamoeba histolytica Rab geranylgeranyltransferase beta subunit, putative 0.024 0.2526 0.2526
Plasmodium falciparum plasmepsin IV 0.0095 0.0848 0.0848
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.024 0.2526 0.2526
Trichomonas vaginalis rheb, putative 0.0594 0.6616 0.6616
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0886 1 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.024 0.2526 0.2526
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0766 0.8611 0.5
Brugia malayi hypothetical protein 0.0023 0.0005 0.0005
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0886 1 1
Loa Loa (eye worm) hypothetical protein 0.024 0.2526 0.2526
Brugia malayi Ras protein let-60 0.0594 0.6616 0.6616
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0095 0.0848 0.0848
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.037 0.4027 0.4027
Loa Loa (eye worm) hypothetical protein 0.024 0.2526 0.2526
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0646 0.7218 0.7218
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.037 0.4027 0.4027
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.037 0.4027 0.4027
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.037 0.4027 0.4027
Onchocerca volvulus 0.037 0.4027 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0045 0.0269 0.0269
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0886 1 1
Leishmania major lanosterol synthase, putative 0.0526 0.5829 0.5829
Giardia lamblia Rab geranylgeranyltransferase 0.0751 0.8441 0.7914

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 32 ug ml-1 Antiviral activity of the compound was tested against varicella-zoster virus(OKA strain) ChEMBL. 9871764
EC50 (functional) = 45 ug ml-1 Antiviral activity of the compound was tested against varicella-zoster virus (07/1strain) ChEMBL. 9871764
EC50 (functional) = 50 ug ml-1 Antiviral activity of the compound was tested against varicella-zoster virus(YS/R strain) ChEMBL. 9871764
IC50 (functional) = 77.2 uM Antitumor activity of the compound was evaluated against L1210 cell line ChEMBL. 9871764
IC50 (functional) = 77.2 uM Antitumor activity of the compound was evaluated against L1210 cell line ChEMBL. 9871764
IC50 (functional) = 90.5 uM Antitumor activity of the compound was evaluated against CEM cell line ChEMBL. 9871764
IC50 (functional) = 90.5 uM Antitumor activity of the compound was evaluated against CEM cell line ChEMBL. 9871764
IC50 (functional) = 120 uM Antitumor activity of the compound was evaluated against Molt4/C8 cell line ChEMBL. 9871764
IC50 (functional) = 120 uM Antitumor activity of the compound was evaluated against Molt4/C8 cell line ChEMBL. 9871764

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

1 literature reference was collected for this gene.

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