Detailed information for compound 143539

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 247.28 | Formula: C9H9N7S
  • H donors: 2 H acceptors: 1 LogP: 2.69 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [N-]=[N+]=Nc1ccc2c(c1)nc([nH]2)N/C(=N/C)/S
  • InChi: 1S/C9H9N7S/c1-11-9(17)14-8-12-6-3-2-5(15-16-10)4-7(6)13-8/h2-4H,1H3,(H3,11,12,13,14,17)
  • InChiKey: QFJOJGCJFUPQGK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 hypothetical protein 0.0938 0.5374 0.6676
Echinococcus granulosus nibrin 0.004 0.0129 0.016
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0064 0.027 0.0336
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.012 0.06 0.0711
Brugia malayi Smad1 0.0118 0.0585 0.0585
Brugia malayi N-terminal motif family protein 0.0173 0.0908 0.0908
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.004 0.0129 0.0129
Schistosoma mansoni tar DNA-binding protein 0.1396 0.8049 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0089 0.0416 0.0516
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.012 0.06 0.0745
Loa Loa (eye worm) MH1 domain-containing protein 0.0118 0.0585 0.0585
Schistosoma mansoni DNA ligase IV 0.004 0.0129 0.016
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0064 0.027 0.0336
Loa Loa (eye worm) hypothetical protein 0.0173 0.0908 0.0908
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.004 0.0129 0.3087
Loa Loa (eye worm) hypothetical protein 0.0053 0.0205 0.0205
Echinococcus multilocularis nibrin 0.004 0.0129 0.016
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0434 0.2432 0.3021
Schistosoma mansoni Smad4 0.0053 0.0205 0.0254
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.1173 0.6747 1
Schistosoma mansoni smad 0.0053 0.0205 0.0254
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0073 0.0321 1
Plasmodium vivax replication factor C subunit 1, putative 0.004 0.0129 0.125
Loa Loa (eye worm) MH2 domain-containing protein 0.173 1 1
Brugia malayi hypothetical protein 0.0142 0.0729 0.0729
Loa Loa (eye worm) TAR-binding protein 0.1396 0.8049 0.8049
Schistosoma mansoni Smad4 0.0118 0.0585 0.0727
Schistosoma mansoni topbp1 0.004 0.0129 0.016
Echinococcus granulosus replication factor c subunit 1 0.004 0.0129 0.016
Echinococcus granulosus tar DNA binding protein 0.1396 0.8049 1
Schistosoma mansoni tar DNA-binding protein 0.1396 0.8049 1
Onchocerca volvulus 0.004 0.0129 0.142
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.012 0.06 0.8115
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.012 0.06 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0089 0.0416 0.0416
Toxoplasma gondii isocitrate dehydrogenase 0.012 0.06 0.8115
Echinococcus granulosus TGF beta signal transducer SmadC 0.0118 0.0585 0.0727
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.1173 0.6747 1
Schistosoma mansoni smad1 5 8 and 0.0118 0.0585 0.0727
Echinococcus granulosus mothers against decapentaplegic 2 0.0053 0.0205 0.0254
Schistosoma mansoni hypothetical protein 0.0064 0.027 0.0336
Echinococcus granulosus Smad4 0.0118 0.0585 0.0727
Echinococcus multilocularis dual specificity mitogen activated protein 0.1173 0.6747 0.8382
Brugia malayi MH2 domain containing protein 0.0118 0.0585 0.0585
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0073 0.0321 0.0399
Loa Loa (eye worm) hypothetical protein 0.0073 0.0321 0.0321
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.004 0.0129 0.125
Loa Loa (eye worm) hypothetical protein 0.0434 0.2432 0.2432
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1372 0.7908 0.7908
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0173 0.0908 1
Schistosoma mansoni hypothetical protein 0.0434 0.2432 0.3021
Loa Loa (eye worm) Smad1 0.0118 0.0585 0.0585
Echinococcus granulosus FTZ F1 alpha 0.0353 0.1957 0.2432
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0073 0.0321 0.4051
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.012 0.06 0.0711
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0073 0.0321 1
Loa Loa (eye worm) RNA binding protein 0.1396 0.8049 0.8049
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.1173 0.6747 0.6747
Schistosoma mansoni protein kinase 0.1173 0.6747 0.8382
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.004 0.0129 0.5
Schistosoma mansoni tar DNA-binding protein 0.1396 0.8049 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1372 0.7908 0.7908
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0073 0.0321 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.012 0.06 0.0711
Brugia malayi MH1 domain containing protein 0.0118 0.0585 0.0585
Trypanosoma brucei isocitrate dehydrogenase, putative 0.012 0.06 0.0711
Schistosoma mansoni Smad4 0.0053 0.0205 0.0254
Loa Loa (eye worm) hypothetical protein 0.004 0.0129 0.0129
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0434 0.2432 0.2432
Toxoplasma gondii LsmAD domain-containing protein 0.0142 0.0729 1
Trypanosoma brucei PAB1-binding protein , putative 0.0142 0.0729 0.0907
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0089 0.0416 0.0516
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1396 0.8049 0.8049
Schistosoma mansoni topbp1 0.004 0.0129 0.016
Loa Loa (eye worm) hypothetical protein 0.004 0.0129 0.0129
Schistosoma mansoni chromosome transmission fidelity factor 0.004 0.0129 0.016
Brugia malayi Calcitonin receptor-like protein seb-1 0.1372 0.7908 0.7908
Trichomonas vaginalis STE family protein kinase 0.1173 0.6747 1
Brugia malayi hypothetical protein 0.004 0.0129 0.0129
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0073 0.0321 0.4051
Loa Loa (eye worm) hypothetical protein 0.004 0.0129 0.0129
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.012 0.06 0.0745
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0089 0.0416 0.0516
Schistosoma mansoni tar DNA-binding protein 0.1396 0.8049 1
Echinococcus granulosus GPCR family 2 0.0434 0.2432 0.3021
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.012 0.06 0.0745
Echinococcus granulosus dual specificity mitogen activated protein 0.1173 0.6747 0.8382
Brugia malayi hypothetical protein 0.004 0.0129 0.0129
Plasmodium vivax ataxin-2 like protein, putative 0.0142 0.0729 1
Brugia malayi MH2 domain containing protein 0.0118 0.0585 0.0585
Toxoplasma gondii ATPase, AAA family protein 0.004 0.0129 0.125
Loa Loa (eye worm) hypothetical protein 0.1372 0.7908 0.7908
Brugia malayi Latrophilin receptor protein 2 0.0434 0.2432 0.2432
Entamoeba histolytica hypothetical protein 0.004 0.0129 0.5
Loa Loa (eye worm) hypothetical protein 0.0065 0.0278 0.0278
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0434 0.2432 0.3021
Echinococcus multilocularis mothers against decapentaplegic 5 0.0118 0.0585 0.0727
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0073 0.0321 1
Schistosoma mansoni tar DNA-binding protein 0.1396 0.8049 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0142 0.0729 0.0907
Brugia malayi latrophilin 2 splice variant baaae 0.0938 0.5374 0.5374
Brugia malayi MH2 domain containing protein 0.0053 0.0205 0.0205
Echinococcus multilocularis peptidase Clp (S14 family) 0.0048 0.0175 0.0217
Schistosoma mansoni peptidase Clp (S14 family) 0.0073 0.0321 0.0399
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0434 0.2432 0.3021
Echinococcus multilocularis replication factor c subunit 1 0.004 0.0129 0.016
Brugia malayi MH1 domain containing protein 0.0065 0.0278 0.0278
Loa Loa (eye worm) isocitrate dehydrogenase 0.012 0.06 0.06
Treponema pallidum DNA ligase (lig) 0.004 0.0129 0.3087
Schistosoma mansoni hypothetical protein 0.0434 0.2432 0.3021
Brugia malayi MH1 domain containing protein 0.0065 0.0278 0.0278
Trichomonas vaginalis STE family protein kinase 0.1173 0.6747 1
Brugia malayi Pax transcription activation domain interacting protein 0.004 0.0129 0.0129
Toxoplasma gondii isocitrate dehydrogenase 0.012 0.06 0.8115
Brugia malayi Probable ClpP-like protease 0.0073 0.0321 0.0321
Plasmodium falciparum ataxin-2 like protein, putative 0.0142 0.0729 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0118 0.0585 0.0727
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.012 0.06 0.0745
Brugia malayi Isocitrate dehydrogenase 0.012 0.06 0.06
Brugia malayi TAR-binding protein 0.1396 0.8049 0.8049
Trypanosoma cruzi PAB1-binding protein , putative 0.0142 0.0729 0.0907
Schistosoma mansoni smad 0.0118 0.0585 0.0727
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.012 0.06 0.0745
Echinococcus multilocularis Smad4 0.0118 0.0585 0.0727
Loa Loa (eye worm) hypothetical protein 0.0142 0.0729 0.0729
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0073 0.0321 1
Loa Loa (eye worm) nuclear factor I 0.0065 0.0278 0.0278
Brugia malayi MH1 domain containing protein 0.0118 0.0585 0.0585
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0073 0.0321 1
Leishmania major hypothetical protein, conserved 0.0142 0.0729 0.021
Loa Loa (eye worm) latrophilin receptor protein 2 0.0434 0.2432 0.2432
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0118 0.0585 0.0727
Echinococcus granulosus mothers against decapentaplegic 6 0.0053 0.0205 0.0254
Schistosoma mansoni smad1 5 8 and 0.0118 0.0585 0.0727
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.1173 0.6747 0.6747
Brugia malayi mothers against decapentaplegic homolog 3 0.0053 0.0205 0.0205
Brugia malayi hypothetical protein 0.0092 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0938 0.5374 0.5374
Echinococcus multilocularis mothers against decapentaplegic 6 0.0053 0.0205 0.0254
Plasmodium falciparum ataxin-2 like protein, putative 0.0142 0.0729 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0129 0.0129
Echinococcus granulosus peptidase Clp S14 family 0.0048 0.0175 0.0217
Brugia malayi isocitrate dehydrogenase 0.012 0.06 0.06
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0434 0.2432 0.3021
Echinococcus multilocularis mothers against decapentaplegic 2 0.0053 0.0205 0.0254
Schistosoma mansoni hypothetical protein 0.0071 0.0313 0.0389
Brugia malayi topoisomerase 0.004 0.0129 0.0129
Echinococcus multilocularis tar DNA binding protein 0.1396 0.8049 1
Brugia malayi RNA binding protein 0.1396 0.8049 0.8049
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0585 0.0585
Giardia lamblia Kinase, STE STE20 0.1173 0.6747 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.012 0.06 0.8115
Echinococcus granulosus mothers against decapentaplegic 5 0.0118 0.0585 0.0727
Trichomonas vaginalis STE family protein kinase 0.1173 0.6747 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0053 0.0205 0.0205
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0073 0.0321 1
Echinococcus multilocularis isocitrate dehydrogenase 0.012 0.06 0.0745
Loa Loa (eye worm) MH2 domain-containing protein 0.0053 0.0205 0.0205
Brugia malayi DKFZp564C0469 protein 0.004 0.0129 0.0129
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0048 0.0175 0.4744
Echinococcus multilocularis FTZ F1 alpha 0.0089 0.0416 0.0516
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0073 0.0321 0.0399
Loa Loa (eye worm) hypothetical protein 0.004 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.004 0.0129 0.0129
Echinococcus multilocularis GPCR, family 2 0.0434 0.2432 0.3021
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0073 0.0321 0.4051
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0089 0.0416 0.0416
Schistosoma mansoni smad1 5 8 and 0.0118 0.0585 0.0727
Loa Loa (eye worm) hypothetical protein 0.0089 0.0416 0.0416
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0073 0.0321 0.4051
Echinococcus granulosus smad 0.0118 0.0585 0.0727
Plasmodium falciparum replication factor C subunit 1, putative 0.004 0.0129 0.125
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0053 0.0205 0.2256
Schistosoma mansoni hypothetical protein 0.0434 0.2432 0.3021
Echinococcus multilocularis smad 0.0118 0.0585 0.0727
Schistosoma mansoni hypothetical protein 0.0434 0.2432 0.3021
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.012 0.06 0.0745
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.1173 0.6747 1
Brugia malayi RNA recognition motif domain containing protein 0.1396 0.8049 0.8049
Loa Loa (eye worm) transcription factor SMAD2 0.173 1 1

Activities

Activity type Activity value Assay description Source Reference
Concentration (functional) = 0.0005 M Concentration of the compound in urinary bladder of female frog. ChEMBL. No reference
Inhibition (functional) = 29 % Compound was tested for its ability to inhibit the urea facilitated transport in the urinary bladder of female frog, activity expressed as percent inhibition. ChEMBL. No reference
Irreversibility (functional) = 100 % Compound was tested for its ability to inhibit the urea facilitated transport in the urinary bladder of female frog after illumination, activity expressed as irreversibility of illumination. ChEMBL. No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.