Detailed information for compound 1142364

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 229.281 | Formula: C12H15N5
  • H donors: 2 H acceptors: 3 LogP: 0.74 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncnc2c1ccc(n2)C1CCCCN1
  • InChi: 1S/C12H15N5/c13-11-8-4-5-10(9-3-1-2-6-14-9)17-12(8)16-7-15-11/h4-5,7,9,14H,1-3,6H2,(H2,13,15,16,17)
  • InChiKey: OKIMFEIOKFXIBT-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
Giardia lamblia GTOR 0.0091 0.13 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0091 0.13 0.2914
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.088 0.1974
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.0936 0.2099
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0038 0.0261 0.1204
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0198 0.008
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.088 0.6448
Brugia malayi Pre-SET motif family protein 0.0223 0.3861 0.3787
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0502 0.0388
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0119 0.0267
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0445 0.8193 1
Mycobacterium ulcerans hypothetical protein 0.007 0.088 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0091 0.13 1
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.088 0.1974
Loa Loa (eye worm) TAR-binding protein 0.0538 1 1
Plasmodium vivax hypothetical protein, conserved 0.007 0.088 1
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.088 0.5
Schistosoma mansoni tar DNA-binding protein 0.0538 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.3861 0.3787
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0538 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.088 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0845 0.1894
Trichomonas vaginalis esterase, putative 0.007 0.088 0.1974
Loa Loa (eye worm) hypothetical protein 0.007 0.088 0.077
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0073 0.0938 0.6934
Echinococcus granulosus tumor protein p63 0.0343 0.6211 0.6165
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0585 0.1311
Loa Loa (eye worm) MH2 domain-containing protein 0.0262 0.4627 0.4562
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0845 0.1894
Trypanosoma brucei hypothetical protein, conserved 0.007 0.088 0.6448
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0146 0.0027
Loa Loa (eye worm) hypothetical protein 0.0051 0.051 0.0396
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0574 0.1288
Mycobacterium leprae conserved hypothetical protein 0.007 0.088 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0483 0.1082
Loa Loa (eye worm) hypothetical protein 0.007 0.088 0.077
Toxoplasma gondii target of rapamycin (TOR), putative 0.0068 0.0845 0.9512
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0146 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.104 0.2332
Brugia malayi beta-lactamase family protein 0.007 0.088 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0061 0.0715 0.1603
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0091 0.13 0.1195
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.051 0.0396
Brugia malayi beta-lactamase family protein 0.007 0.088 0.077
Loa Loa (eye worm) hypothetical protein 0.007 0.088 0.077
Mycobacterium ulcerans lipase LipD 0.007 0.088 0.5
Brugia malayi beta-lactamase 0.007 0.088 0.077
Mycobacterium leprae Probable lipase LipE 0.007 0.088 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0585 0.1311
Trypanosoma cruzi target of rapamycin kinase 3 0.0073 0.0938 0.6934
Onchocerca volvulus 0.007 0.088 0.1703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0677 0.1517
Onchocerca volvulus 0.007 0.088 0.1703
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.0936 0.2099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.0936 0.2099
Brugia malayi RNA recognition motif domain containing protein 0.0538 1 1
Loa Loa (eye worm) RNA binding protein 0.0538 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0845 0.1894
Brugia malayi TAR-binding protein 0.0538 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0845 0.1894
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0091 0.13 0.1195
Brugia malayi Pre-SET motif family protein 0.0032 0.0146 0.0027
Onchocerca volvulus 0.007 0.088 0.1703
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0091 0.13 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0073 0.0938 0.6934
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0146 0.0027
Schistosoma mansoni tar DNA-binding protein 0.0538 1 1
Echinococcus multilocularis tar DNA binding protein 0.0538 1 1
Brugia malayi MH2 domain containing protein 0.0262 0.4627 0.4562
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0091 0.13 0.1195
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0481 0.1079
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.088 0.1974
Loa Loa (eye worm) hypothetical protein 0.0032 0.0146 0.0027
Mycobacterium ulcerans beta-lactamase 0.007 0.088 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.088 0.6448
Loa Loa (eye worm) hypothetical protein 0.007 0.088 0.077
Leishmania major hypothetical protein, conserved 0.007 0.088 0.6448
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0091 0.13 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0146 0.0027
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0146 0.0027
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0146 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.0936 0.2099
Loa Loa (eye worm) transcription factor SMAD2 0.0262 0.4627 0.4562
Loa Loa (eye worm) hypothetical protein 0.007 0.088 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0845 0.1894
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.051 0.0396
Loa Loa (eye worm) beta-lactamase 0.007 0.088 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0119 0.0267
Echinococcus granulosus tar DNA binding protein 0.0538 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.088 0.1974
Trichomonas vaginalis PIKK family atypical protein kinase 0.0091 0.13 0.2914
Trichomonas vaginalis PIKK family atypical protein kinase 0.0091 0.13 0.2914
Toxoplasma gondii ABC1 family protein 0.007 0.088 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.051 0.0396
Schistosoma mansoni tar DNA-binding protein 0.0538 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0091 0.13 0.5
Echinococcus multilocularis tumor protein p63 0.0343 0.6211 0.6165
Schistosoma mansoni tar DNA-binding protein 0.0538 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.088 0.077
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.088 0.077
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.088 0.077
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.088 0.1974
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0483 0.1082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0845 0.1894
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0585 0.1311
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0091 0.13 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0502 0.0388
Schistosoma mansoni hypothetical protein 0.0035 0.0198 0.008
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0091 0.13 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0091 0.13 0.1195
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0119 0.0267
Onchocerca volvulus 0.0254 0.446 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0073 0.0936 0.2099
Onchocerca volvulus 0.005 0.0502 0.0827
Loa Loa (eye worm) hypothetical protein 0.0035 0.0198 0.008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0119 0.0267
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0483 0.1082
Schistosoma mansoni tar DNA-binding protein 0.0538 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0043 0.0363 0.207
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0146 0.0027
Trichomonas vaginalis set domain proteins, putative 0.0254 0.446 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0091 0.13 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0068 0.0845 0.1894
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.088 0.077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.0574 0.1288
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0091 0.13 0.1195
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0481 0.1079
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0091 0.13 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0483 0.1082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0481 0.1079
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0123 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0119 0.0267
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.088 0.077
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.088 0.077
Loa Loa (eye worm) hypothetical protein 0.007 0.088 0.077

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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