Detailed information for compound 1643846

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 280.368 | Formula: C17H20N4
  • H donors: 1 H acceptors: 0 LogP: 2.6 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1ccc(cc1)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C17H20N4/c18-17(19)14-6-8-16(9-7-14)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H3,18,19)
  • InChiKey: LOFDFXDTQOTOGI-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
Echinococcus granulosus carboxylesterase 5A 0.0252 0.6627 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0204 0.521 0.5
Onchocerca volvulus 0.0043 0.0414 0.0336
Brugia malayi SEA domain containing protein 0.0057 0.0838 0.0877
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0204 0.521 0.5454
Loa Loa (eye worm) carboxylesterase 0.0252 0.6627 0.6938
Brugia malayi Trypsin family protein 0.0032 0.0096 0.0101
Echinococcus granulosus acetylcholinesterase 0.0252 0.6627 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0043 0.0414 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0434
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0043 0.0414 0.5
Schistosoma mansoni gliotactin 0.0043 0.0414 0.0321
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0043 0.0414 0.0487
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0204 0.521 1
Loa Loa (eye worm) DOMON domain-containing protein 0.0057 0.0838 0.0877
Echinococcus multilocularis carboxylesterase 5A 0.0252 0.6627 1
Brugia malayi Muscle positioning protein 4 0.0057 0.0838 0.0877
Brugia malayi Trypsin family protein 0.0032 0.0096 0.0101
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0434
Echinococcus granulosus nmda type glutamate receptor 0.0032 0.0098 0.0003
Loa Loa (eye worm) carboxylesterase 0.0043 0.0414 0.0434
Onchocerca volvulus 0.0057 0.0838 0.0784
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0351 0.9553 0.9549
Schistosoma mansoni hypothetical protein 0.0057 0.0838 0.0749
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0434
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0204 0.521 1
Onchocerca volvulus 0.0319 0.8608 0.9
Schistosoma mansoni BC026374 protein (S09 family) 0.0043 0.0414 0.0321
Onchocerca volvulus 0.0351 0.9553 1
Onchocerca volvulus 0.0043 0.0414 0.0336
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0204 0.521 0.5454
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0434
Loa Loa (eye worm) acetylcholinesterase 1 0.0252 0.6627 0.6938
Brugia malayi Carboxylesterase family protein 0.0252 0.6627 0.6938
Echinococcus multilocularis para nitrobenzyl esterase 0.0043 0.0414 0.0487
Onchocerca volvulus 0.0043 0.0414 0.0336
Echinococcus granulosus para nitrobenzyl esterase 0.0043 0.0414 0.0487
Loa Loa (eye worm) hypothetical protein 0.0351 0.9553 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0434
Onchocerca volvulus 0.0043 0.0414 0.0336
Brugia malayi Carboxylesterase family protein 0.0043 0.0414 0.0434
Echinococcus granulosus BC026374 protein S09 family 0.0043 0.0414 0.0487
Echinococcus granulosus acetylcholinesterase 0.0252 0.6627 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0043 0.0414 0.5
Onchocerca volvulus 0.0057 0.0838 0.0784
Brugia malayi Carboxylesterase family protein 0.0252 0.6627 0.6938
Schistosoma mansoni acetylcholinesterase 0.0043 0.0414 0.0321
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0204 0.521 0.7829
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0204 0.521 0.5454
Loa Loa (eye worm) hypothetical protein 0.0032 0.0096 0.0101
Mycobacterium tuberculosis Carboxylesterase LipT 0.0043 0.0414 0.5
Echinococcus multilocularis BC026374 protein (S09 family) 0.0043 0.0414 0.0487
Brugia malayi Trypsin-like protease protein 5 0.0032 0.0096 0.0101
Echinococcus multilocularis acetylcholinesterase 0.0252 0.6627 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0434
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0204 0.521 0.7829
Onchocerca volvulus 0.0057 0.0838 0.0784
Brugia malayi Carboxylesterase family protein 0.0043 0.0414 0.0434
Onchocerca volvulus 0.0043 0.0414 0.0336
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0032 0.0096 0.0101
Loa Loa (eye worm) hypothetical protein 0.0032 0.0096 0.0101
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0043 0.0414 0.0321
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0037 0.0236 0.0141
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0252 0.6627 0.6595
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0032 0.0098 0.0003
Echinococcus multilocularis acetylcholinesterase 0.0252 0.6627 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0096 0.0101
Loa Loa (eye worm) hypothetical protein 0.0057 0.0838 0.0877
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0204 0.521 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0204 0.521 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0838 0.0877
Brugia malayi hypothetical protein 0.0043 0.0414 0.0434
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0204 0.521 0.5163
Echinococcus multilocularis nmda type glutamate receptor 0.0032 0.0098 0.0003
Onchocerca volvulus 0.0057 0.0838 0.0784
Loa Loa (eye worm) trypsin family protein 0.0032 0.0096 0.0101
Brugia malayi hypothetical protein 0.0032 0.0096 0.0101
Schistosoma mansoni neuroligin 3 (S09 family) 0.0043 0.0414 0.0321
Loa Loa (eye worm) hypothetical protein 0.0351 0.9553 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.6627 0.6938
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0043 0.0414 0.0321
Brugia malayi Trypsin family protein 0.0032 0.0096 0.0101
Loa Loa (eye worm) hypothetical protein 0.0043 0.0414 0.0434
Loa Loa (eye worm) hypothetical protein 0.0032 0.0096 0.0101
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0204 0.521 1
Brugia malayi Carboxylesterase family protein 0.0043 0.0414 0.0434
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0204 0.521 1
Brugia malayi Trypsin family protein 0.0351 0.9553 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0204 0.521 0.5
Loa Loa (eye worm) carboxylesterase 0.0043 0.0414 0.0434
Echinococcus multilocularis neuroligin 0.0043 0.0414 0.0487
Loa Loa (eye worm) hypothetical protein 0.0252 0.6627 0.6938
Loa Loa (eye worm) hypothetical protein 0.0032 0.0096 0.0101
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0204 0.521 0.5
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0204 0.521 0.5454
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0043 0.0414 0.0321
Brugia malayi Carboxylesterase family protein 0.0043 0.0414 0.0434
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0043 0.0414 0.0487
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0204 0.521 0.5
Onchocerca volvulus 0.0057 0.0838 0.0784
Echinococcus granulosus neuroligin 0.0043 0.0414 0.0487

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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