Detailed information for compound 817742

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.492 | Formula: C17H26N6O2S
  • H donors: 1 H acceptors: 5 LogP: 0.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(c1nnc2n1CCN(CC2)Cc1ccccn1)NS(=O)(=O)C)C
  • InChi: 1S/C17H26N6O2S/c1-13(2)16(21-26(3,24)25)17-20-19-15-7-9-22(10-11-23(15)17)12-14-6-4-5-8-18-14/h4-6,8,13,16,21H,7,9-12H2,1-3H3
  • InChiKey: RKCVLJSKCJSZBM-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 neuroligin 0.0152 0.1252 0.1252
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0152 0.1252 0.1252
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.0587 0.0587
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0152 0.1252 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0075 0.0075
Loa Loa (eye worm) carboxylesterase 0.0152 0.1252 0.1252
Echinococcus granulosus microtubule associated protein 2 0.069 0.7567 0.7567
Schistosoma mansoni kinase 0.0048 0.0042 0.0042
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0587 0.4568
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0075 0.0075
Onchocerca volvulus 0.0152 0.1252 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0075 0.5
Brugia malayi Carboxylesterase family protein 0.0152 0.1252 0.1252
Brugia malayi Carboxylesterase family protein 0.0152 0.1252 0.1252
Loa Loa (eye worm) hypothetical protein 0.0898 1 1
Echinococcus multilocularis microtubule associated protein 2 0.069 0.7567 0.7567
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0152 0.1252 0.1252
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0587 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1252 0.1252
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0075 0.0387
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0152 0.1252 0.1252
Echinococcus multilocularis para nitrobenzyl esterase 0.0152 0.1252 0.1252
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0587 0.4568
Loa Loa (eye worm) carboxylesterase 0.0152 0.1252 0.1252
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0075 0.0075
Onchocerca volvulus 0.0152 0.1252 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0075 0.0387
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.0587 0.0587
Echinococcus multilocularis carboxylesterase 5A 0.0898 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1252 0.1252
Loa Loa (eye worm) hypothetical protein 0.0898 1 1
Brugia malayi MAP kinase sur-1 0.0051 0.0075 0.0075
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.0587 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0075 0.0075
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0075 0.0387
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0587 0.4568
Giardia lamblia Kinase, PLK 0.0095 0.0587 1
Echinococcus granulosus para nitrobenzyl esterase 0.0152 0.1252 0.1252
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0152 0.1252 0.1252
Echinococcus granulosus carboxylesterase 5A 0.0898 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0152 0.1252 0.1252
Schistosoma mansoni acetylcholinesterase 0.0152 0.1252 0.1252
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.0587 0.0587
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.0587 0.0587
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0587 0.4568
Mycobacterium ulcerans carboxylesterase, LipT 0.0152 0.1252 0.5
Echinococcus granulosus acetylcholinesterase 0.0898 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0587 0.4568
Loa Loa (eye worm) hypothetical protein 0.0152 0.1252 0.1252
Loa Loa (eye worm) hypothetical protein 0.0152 0.1252 0.1252
Onchocerca volvulus 0.0152 0.1252 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0152 0.1252 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.1252 0.1252
Echinococcus granulosus acetylcholinesterase 0.0898 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0152 0.1252 0.1252
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0075 0.0075
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0075 0.0387
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0152 0.1252 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0587 0.4568
Echinococcus multilocularis BC026374 protein (S09 family) 0.0152 0.1252 0.1252
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0587 0.4568
Onchocerca volvulus 0.0152 0.1252 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1252 0.1252
Echinococcus multilocularis acetylcholinesterase 0.0898 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0058 0.0058
Brugia malayi hypothetical protein 0.0152 0.1252 0.1252
Trichomonas vaginalis spcc417.12 protein, putative 0.0152 0.1252 1
Brugia malayi Carboxylesterase family protein 0.0152 0.1252 0.1252
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0075 0.0075
Echinococcus multilocularis neuroligin 0.0152 0.1252 0.1252
Onchocerca volvulus 0.0152 0.1252 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.0587 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0587 1
Loa Loa (eye worm) carboxylesterase 0.0898 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0152 0.1252 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0898 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0058 0.0058
Loa Loa (eye worm) acetylcholinesterase 1 0.0898 1 1
Brugia malayi Carboxylesterase family protein 0.0898 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.1252 0.1252
Trypanosoma brucei polo-like protein kinase 0.0095 0.0587 1
Schistosoma mansoni gliotactin 0.0152 0.1252 0.1252
Brugia malayi Carboxylesterase family protein 0.0152 0.1252 0.1252
Loa Loa (eye worm) hypothetical protein 0.005 0.0058 0.0058
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.0587 0.0587
Schistosoma mansoni microtubule-associated protein tau 0.069 0.7567 0.7567
Echinococcus multilocularis acetylcholinesterase 0.0898 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0152 0.1252 0.1252
Echinococcus granulosus BC026374 protein S09 family 0.0152 0.1252 0.1252
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0058 0.0058

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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