Detailed information for compound 878738

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 262.331 | Formula: C12H14N4OS
  • H donors: 0 H acceptors: 4 LogP: 1.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1csc(n1)c1cnccn1)CCC
  • InChi: 1S/C12H14N4OS/c1-3-6-16(2)12(17)10-8-18-11(15-10)9-7-13-4-5-14-9/h4-5,7-8H,3,6H2,1-2H3
  • InChiKey: RJWMBRSSXKHRMN-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
Echinococcus multilocularis endoplasmin 0.0107 0.0376 0.7474
Echinococcus granulosus roundabout 2 0.0097 0.0332 0.0332
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0095 0.032 0.032
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Toxoplasma gondii heat shock protein 90, putative 0.0134 0.0504 1
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Plasmodium falciparum heat shock protein 90, putative 0.0055 0.0135 0.2588
Schistosoma mansoni voltage-gated potassium channel 0.0087 0.0284 0.5631
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0055 0.0135 0.268
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0027 0.0006 0.0006
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0027 0.0006 0.0125
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0027 0.0006 0.0125
Plasmodium vivax heat shock protein 86, putative 0.0134 0.0504 1
Echinococcus granulosus heat shock protein 0.0134 0.0504 0.0504
Toxoplasma gondii heat shock protein HSP90 0.0134 0.0504 1
Trypanosoma cruzi heat shock protein 85, putative 0.0134 0.0504 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0027 0.0006 0.0125
Loa Loa (eye worm) hypothetical protein 0.0027 0.0006 0.0058
Brugia malayi Immunoglobulin I-set domain containing protein 0.0257 0.1077 1
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0027 0.0006 0.0097
Echinococcus granulosus Immunoglobulin 0.0071 0.0212 0.0212
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0071 0.0212 0.4201
Trypanosoma brucei Heat shock protein 83, putative 0.0134 0.0504 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0027 0.0004 0.0083
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.008 0.0252 0.2336
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0027 0.0006 0.0097
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0613 0.2735 1
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Plasmodium falciparum endoplasmin, putative 0.0082 0.0262 0.5145
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0055 0.0135 0.208
Loa Loa (eye worm) hypothetical protein 0.0095 0.032 0.297
Trypanosoma cruzi heat shock protein, putative 0.0055 0.0135 0.2588
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.0004 0.0083
Echinococcus granulosus potassium voltage gated channel subfamily H 0.008 0.0252 0.0252
Treponema pallidum heat shock protein 90 0.0107 0.0376 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0107 0.0376 0.0376
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0107 0.0376 0.1356
Trypanosoma cruzi heat shock protein 85, putative 0.0107 0.0376 0.7443
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.008 0.0252 0.4996
Brugia malayi Endoplasmin precursor 0.0134 0.0504 0.4675
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
Trypanosoma cruzi heat shock protein 90, putative 0.0079 0.0248 0.4855
Echinococcus multilocularis heat shock protein 0.0134 0.0504 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0085 0.0276 0.5415
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0107 0.0376 1
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Plasmodium falciparum heat shock protein 90, putative 0.0055 0.0135 0.2588
Trypanosoma cruzi heat shock protein 85, putative 0.0134 0.0504 1
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Echinococcus multilocularis roundabout 2 0.0097 0.0332 0.6602
Chlamydia trachomatis DNA gyrase subunit B 0.0027 0.0006 0.5
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0027 0.0004 0.0004
Echinococcus multilocularis voltage gated potassium channel 0.0027 0.0004 0.0083
Brugia malayi heat shock protein 90 0.0134 0.0504 0.4675
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0204 0.3986
Onchocerca volvulus Tyrosine kinase homolog 0.0165 0.0649 1
Trichomonas vaginalis heat shock protein, putative 0.0107 0.0376 0.7443
Schistosoma mansoni pyruvate dehydrogenase 0.0027 0.0006 0.0125
Giardia lamblia Heat shock protein HSP 90-alpha 0.0107 0.0376 0.7443
Brugia malayi hypothetical protein 0.0071 0.0212 0.1964
Schistosoma mansoni heat shock protein 0.0055 0.0135 0.268
Giardia lamblia Heat shock protein HSP 90-alpha 0.0134 0.0504 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0026 0.0002 0.0023
Plasmodium vivax endoplasmin, putative 0.0134 0.0504 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0134 0.0504 1
Echinococcus granulosus voltage gated potassium channel 0.0027 0.0004 0.0004
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0107 0.0376 0.7443
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
Trichomonas vaginalis endoplasmin, putative 0.0082 0.0262 0.5145
Brugia malayi kinase, mitochondrial precursor 0.0027 0.0006 0.0058
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Giardia lamblia Grp94/Hsp90 0.0107 0.0376 0.7443
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.0004 0.0083
Echinococcus granulosus twitchin 0.0075 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0027 0.0004 0.0039
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0107 0.0376 1
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Loa Loa (eye worm) TOPoisomerase family member 0.0027 0.0006 0.0058
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0085 0.0276 0.0276
Echinococcus granulosus heat shock protein 90 0.0107 0.0376 0.0376
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Leishmania major heat shock protein, putative 0.0055 0.0135 0.2588
Trichomonas vaginalis heat shock protein, putative 0.0134 0.0504 1
Plasmodium vivax heat shock protein 90, putative 0.0055 0.0135 0.2588
Mycobacterium ulcerans heat shock protein 90 0.0107 0.0376 0.1356
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0027 0.0006 0.0058
Trypanosoma cruzi heat shock protein 85, putative 0.0134 0.0504 1
Schistosoma mansoni heat shock protein 0.0134 0.0504 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0055 0.0135 0.2588
Trypanosoma brucei heat shock protein 90, putative 0.0134 0.0504 1
Brugia malayi Hsp90 protein 0.0055 0.0135 0.1253
Entamoeba histolytica heat shock protein 90, putative 0.0134 0.0504 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0055 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
Echinococcus granulosus sodium channel protein 0.0085 0.0276 0.0276
Schistosoma mansoni nephrin 0.0074 0.0224 0.445
Trichomonas vaginalis heat shock protein, putative 0.0107 0.0376 0.7443
Loa Loa (eye worm) hypothetical protein 0.0027 0.0006 0.0058
Schistosoma mansoni voltage-gated potassium channel 0.0087 0.0284 0.5631
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0027 0.0006 0.0006
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0055 0.0135 0.2588
Echinococcus granulosus neuroglian 0.0074 0.0224 0.0224
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0027 0.0004 0.0039
Trichomonas vaginalis heat shock protein, putative 0.0107 0.0376 0.7443
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
Echinococcus granulosus heat shock protein 90 0.0134 0.0504 0.0504
Schistosoma mansoni endoplasmin 0.0134 0.0504 1
Entamoeba histolytica heat shock protein 90, putative 0.0134 0.0504 1
Trichomonas vaginalis heat shock protein, putative 0.0082 0.0262 0.5145
Brugia malayi Probable DNA topoisomerase II 0.0027 0.0006 0.0058
Echinococcus granulosus defective proboscis extension response 0.0071 0.0212 0.0212
Echinococcus multilocularis heat shock protein 90 0.0107 0.0376 0.7474
Echinococcus multilocularis Immunoglobulin 0.0071 0.0212 0.4201
Loa Loa (eye worm) endoplasmin 0.0134 0.0504 0.4675
Schistosoma mansoni endoplasmin 0.0134 0.0504 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0204 0.3986
Trichomonas vaginalis heat shock protein, putative 0.0055 0.0135 0.2588
Trypanosoma cruzi heat shock protein 90, putative 0.0134 0.0504 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
Trypanosoma brucei heat shock protein 84, putative 0.0055 0.0135 0.2588
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0027 0.0006 0.0097
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Schistosoma mansoni vesicular amine transporter 0.0082 0.0259 0.5136
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0332 0.3087
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0332 0.3087
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Trypanosoma cruzi heat shock protein 90, putative 0.0107 0.0376 0.7443
Loa Loa (eye worm) heat shock protein 90 0.0134 0.0504 0.4675
Schistosoma mansoni DNA topoisomerase II 0.0027 0.0006 0.0125
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Schistosoma mansoni heat shock protein 0.0134 0.0504 1
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Echinococcus multilocularis Immunoglobulin 0.0071 0.0212 0.4201
Brugia malayi Immunoglobulin I-set domain containing protein 0.0071 0.0212 0.1964
Plasmodium falciparum heat shock protein 90 0.0134 0.0504 1
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0613 0.2735 1
Schistosoma mansoni tyrosine kinase 0.0032 0.003 0.06
Echinococcus multilocularis sodium channel protein 0.0085 0.0276 0.5472
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0027 0.0006 0.5
Trypanosoma brucei heat shock protein 90, putative 0.0134 0.0504 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0006 0.0058
Onchocerca volvulus 0.0156 0.0606 0.9341
Brugia malayi Fibronectin type III domain containing protein 0.0071 0.0212 0.1964
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.008 0.0252 0.2336
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0257 0.1077 1
Schistosoma mansoni cell adhesion molecule 0.0095 0.032 0.6354
Echinococcus multilocularis neuroglian 0.0074 0.0224 0.445
Echinococcus multilocularis heat shock protein 90 0.0134 0.0504 1
Toxoplasma gondii heat shock protein 75, putative 0.0055 0.0135 0.2588
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0071 0.0212 0.4201
Chlamydia trachomatis DNA gyrase subunit B 0.0027 0.0006 0.5
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0071 0.0212 0.4201
Echinococcus granulosus endoplasmin 0.0107 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.007 0.0206 0.1908
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0027 0.0006 0.0058
Plasmodium vivax heat shock protein, putative 0.0055 0.0135 0.2588
Loa Loa (eye worm) heat shock protein 75 0.0055 0.0135 0.1253

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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