Detailed information for compound 876426

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 276.357 | Formula: C13H16N4OS
  • H donors: 0 H acceptors: 4 LogP: 1.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1csc(n1)c1cnccn1)C(CC)C
  • InChi: 1S/C13H16N4OS/c1-4-9(2)17(3)13(18)11-8-19-12(16-11)10-7-14-5-6-15-10/h5-9H,4H2,1-3H3
  • InChiKey: PLDHMOKJGCVPGJ-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
Schistosoma mansoni DNA topoisomerase II 0.0027 0.0006 0.0125
Loa Loa (eye worm) heat shock protein 90 0.0134 0.0504 0.4675
Trypanosoma cruzi heat shock protein 90, putative 0.0107 0.0376 0.7443
Loa Loa (eye worm) hypothetical protein 0.0097 0.0332 0.3087
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0071 0.0212 0.1964
Echinococcus multilocularis Immunoglobulin 0.0071 0.0212 0.4201
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Schistosoma mansoni heat shock protein 0.0134 0.0504 1
Trypanosoma brucei heat shock protein, putative 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
Trypanosoma cruzi heat shock protein 90, putative 0.0134 0.0504 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
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
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0027 0.0006 0.0097
Trypanosoma brucei heat shock protein 84, putative 0.0055 0.0135 0.2588
Loa Loa (eye worm) hypothetical protein 0.007 0.0206 0.1908
Echinococcus granulosus endoplasmin 0.0107 0.0376 0.0376
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0071 0.0212 0.4201
Loa Loa (eye worm) heat shock protein 75 0.0055 0.0135 0.1253
Plasmodium vivax heat shock protein, putative 0.0055 0.0135 0.2588
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0027 0.0006 0.0058
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
Toxoplasma gondii heat shock protein 75, putative 0.0055 0.0135 0.2588
Echinococcus multilocularis heat shock protein 90 0.0134 0.0504 1
Chlamydia trachomatis DNA gyrase subunit B 0.0027 0.0006 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0071 0.0212 0.4201
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0257 0.1077 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.008 0.0252 0.2336
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
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
Onchocerca volvulus 0.0156 0.0606 0.9341
Echinococcus multilocularis neuroglian 0.0074 0.0224 0.445
Schistosoma mansoni cell adhesion molecule 0.0095 0.032 0.6354
Trypanosoma brucei heat shock protein 90, putative 0.0134 0.0504 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0027 0.0006 0.5
Echinococcus multilocularis sodium channel protein 0.0085 0.0276 0.5472
Schistosoma mansoni tyrosine kinase 0.0032 0.003 0.06
Plasmodium falciparum heat shock protein 90 0.0134 0.0504 1
Mycobacterium ulcerans arylamine N-acetyltransferase Nat 0.0613 0.2735 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0006 0.0058
Echinococcus granulosus neuroglian 0.0074 0.0224 0.0224
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0055 0.0135 0.2588
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0055 0.0135 0.0135
Entamoeba histolytica heat shock protein 90, putative 0.0134 0.0504 1
Brugia malayi Hsp90 protein 0.0055 0.0135 0.1253
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0027 0.0006 0.0006
Schistosoma mansoni voltage-gated potassium channel 0.0087 0.0284 0.5631
Loa Loa (eye worm) hypothetical protein 0.0027 0.0006 0.0058
Trichomonas vaginalis heat shock protein, putative 0.0107 0.0376 0.7443
Schistosoma mansoni nephrin 0.0074 0.0224 0.445
Echinococcus granulosus sodium channel protein 0.0085 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
Toxoplasma gondii Hsp90 domain-containing protein 0.0055 0.0135 0.2588
Trypanosoma brucei heat shock protein 90, putative 0.0134 0.0504 1
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
Plasmodium vivax heat shock protein 90, putative 0.0055 0.0135 0.2588
Trypanosoma cruzi heat shock protein 85, putative 0.0134 0.0504 1
Schistosoma mansoni heat shock protein 0.0134 0.0504 1
Loa Loa (eye worm) endoplasmin 0.0134 0.0504 0.4675
Echinococcus multilocularis Immunoglobulin 0.0071 0.0212 0.4201
Schistosoma mansoni endoplasmin 0.0134 0.0504 1
Echinococcus granulosus defective proboscis extension response 0.0071 0.0212 0.0212
Brugia malayi Probable DNA topoisomerase II 0.0027 0.0006 0.0058
Trichomonas vaginalis heat shock protein, putative 0.0082 0.0262 0.5145
Entamoeba histolytica heat shock protein 90, putative 0.0134 0.0504 1
Schistosoma mansoni endoplasmin 0.0134 0.0504 1
Echinococcus multilocularis heat shock protein 90 0.0107 0.0376 0.7474
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
Echinococcus granulosus heat shock protein 90 0.0134 0.0504 0.0504
Trichomonas vaginalis heat shock protein, putative 0.0107 0.0376 0.7443
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
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Schistosoma mansoni pyruvate dehydrogenase 0.0027 0.0006 0.0125
Onchocerca volvulus Tyrosine kinase homolog 0.0165 0.0649 1
Trichomonas vaginalis heat shock protein, putative 0.0107 0.0376 0.7443
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0204 0.3986
Giardia lamblia Heat shock protein HSP 90-alpha 0.0107 0.0376 0.7443
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Chlamydia trachomatis DNA gyrase subunit B 0.0027 0.0006 0.5
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
Plasmodium falciparum heat shock protein 90, putative 0.0055 0.0135 0.2588
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0085 0.0276 0.5415
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0107 0.0376 1
Echinococcus multilocularis heat shock protein 0.0134 0.0504 1
Trypanosoma cruzi heat shock protein 90, putative 0.0079 0.0248 0.4855
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.1964
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Echinococcus multilocularis roundabout 2 0.0097 0.0332 0.6602
Trypanosoma cruzi heat shock protein 85, putative 0.0134 0.0504 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0107 0.0376 0.1356
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0107 0.0376 0.0376
Treponema pallidum heat shock protein 90 0.0107 0.0376 1
Brugia malayi Endoplasmin precursor 0.0134 0.0504 0.4675
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.008 0.0252 0.4996
Trypanosoma cruzi heat shock protein 85, putative 0.0107 0.0376 0.7443
Trichomonas vaginalis heat shock protein, putative 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
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
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
Loa Loa (eye worm) hypothetical protein 0.0027 0.0004 0.0039
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.0004 0.0083
Echinococcus granulosus twitchin 0.0075 0.0226 0.0226
Giardia lamblia Grp94/Hsp90 0.0107 0.0376 0.7443
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Loa Loa (eye worm) TOPoisomerase family member 0.0027 0.0006 0.0058
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0107 0.0376 1
Plasmodium vivax endoplasmin, putative 0.0134 0.0504 1
Echinococcus granulosus voltage gated potassium channel 0.0027 0.0004 0.0004
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0026 0.0002 0.0023
Giardia lamblia Heat shock protein HSP 90-alpha 0.0134 0.0504 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0134 0.0504 1
Schistosoma mansoni heat shock protein 0.0055 0.0135 0.268
Brugia malayi hypothetical protein 0.0071 0.0212 0.1964
Brugia malayi kinase, mitochondrial precursor 0.0027 0.0006 0.0058
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
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0027 0.0006 0.0097
Echinococcus granulosus Immunoglobulin 0.0071 0.0212 0.0212
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.008 0.0252 0.2336
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0027 0.0004 0.0083
Trypanosoma brucei Heat shock protein 83, putative 0.0134 0.0504 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0071 0.0212 0.4201
Toxoplasma gondii heat shock protein HSP90 0.0134 0.0504 1
Echinococcus granulosus heat shock protein 0.0134 0.0504 0.0504
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
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0027 0.0006 0.0125
Trypanosoma cruzi heat shock protein 85, putative 0.0134 0.0504 1
Plasmodium vivax heat shock protein 86, putative 0.0134 0.0504 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0027 0.0006 0.0125
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0027 0.0006 0.0125
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Toxoplasma gondii heat shock protein 90, putative 0.0134 0.0504 1
Trypanosoma brucei heat shock protein, putative 0.0134 0.0504 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0095 0.032 0.032
Echinococcus granulosus roundabout 2 0.0097 0.0332 0.0332
Echinococcus multilocularis endoplasmin 0.0107 0.0376 0.7474
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0027 0.0006 0.0006
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0055 0.0135 0.268
Schistosoma mansoni voltage-gated potassium channel 0.0087 0.0284 0.5631
Plasmodium falciparum heat shock protein 90, putative 0.0055 0.0135 0.2588
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.008 0.0252 0.0252
Schistosoma mansoni voltage-gated potassium channel 0.0027 0.0004 0.0083
Trypanosoma cruzi heat shock protein, putative 0.0055 0.0135 0.2588
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
Loa Loa (eye worm) hypothetical protein 0.0095 0.032 0.297
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0055 0.0135 0.208
Leishmania major heat shock protein 83-1 0.0134 0.0504 1
Mycobacterium tuberculosis Arylamine N-acetyltransferase Nat (arylamine acetylase) 0.0613 0.2735 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0027 0.0006 0.0097

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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