Detailed information for compound 57585

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 253.172 | Formula: C9H18Cl2N4--
  • H donors: 2 H acceptors: 0 LogP: 1.35 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=NCCN1C(C)C=C[C@@H]1C)N.[Cl-].[Cl-]
  • InChi: 1S/C9H18N4.2ClH/c1-7-3-4-8(2)13(7)6-5-12-9(10)11;;/h3-4,7-8H,5-6H2,1-2H3,(H4,10,11,12);2*1H/p-2/t7-,8?;;/m1../s1
  • InChiKey: ZRZRSWVQSOGTDB-HMOXCYTFSA-L  

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
Trypanosoma cruzi hypothetical protein 0.0263 0.8315 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0181 1
Schistosoma mansoni ubiquitin-activating enzyme E1C 0.0067 0.1593 0.0751
Schistosoma mansoni hypothetical protein 0.005 0.0998 0.0097
Trypanosoma cruzi hypothetical protein 0.0263 0.8315 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.091 0.0743
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit 0.0067 0.1593 0.1009
Trypanosoma brucei nucleoside 2-deoxyribosyltransferase 0.0263 0.8315 1
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit 0.0067 0.1593 1
Echinococcus granulosus survival motor neuron protein 1 0.0244 0.7681 1
Mycobacterium ulcerans glutaminase 0.0312 1 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0244 0.7681 1
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 0.0067 0.1593 0.1438
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit 0.0067 0.1593 0.1009
Trypanosoma cruzi hypothetical protein, conserved 0.0263 0.8315 1
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0048 0.095 0.095
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0181 1
Onchocerca volvulus 0.005 0.0998 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0998 0.0833
Schistosoma mansoni hypothetical protein 0.0173 0.5238 0.4762
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0067 0.1593 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.091 0.0743
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.7557 0.7512
Leishmania major hypothetical protein, conserved 0.0026 0.0181 0.0218
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0181 0.0218
Brugia malayi Ectopic membrane ruffles in embryo protein 1 0.0067 0.1593 0.1438
Trypanosoma cruzi hypothetical protein, conserved 0.0263 0.8315 1
Echinococcus granulosus geminin 0.0173 0.5238 0.6392
Leishmania major hypothetical protein, conserved 0.0263 0.8315 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0181 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0181 0.0218
Brugia malayi hypothetical protein 0.0244 0.7681 0.7639
Trichomonas vaginalis glutaminase, putative 0.0312 1 1
Schistosoma mansoni glutaminase 0.0312 1 1
Schistosoma mansoni survival motor neuron protein 0.005 0.0998 0.0097
Trypanosoma cruzi hypothetical protein, conserved 0.0263 0.8315 1
Loa Loa (eye worm) glutaminase 2 0.0312 1 1
Schistosoma mansoni hypothetical protein 0.0173 0.5238 0.4762
Echinococcus multilocularis geminin 0.0173 0.5238 0.6392
Brugia malayi MH2 domain containing protein 0.0241 0.7557 0.7512
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0181 0.0218
Trichomonas vaginalis conserved hypothetical protein 0.0263 0.8315 0.8315
Loa Loa (eye worm) glutaminase 0.0312 1 1
Loa Loa (eye worm) hypothetical protein 0.0244 0.7681 0.7639
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.7557 0.7512

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) NA 0 % Percent inhibition of caster oil induced diarrhea in rats at a dose of 30 mg/kg peroral administration after 2 hours; NS=Not siginificant ChEMBL. 3906127
Inhibition (functional) NA 0 % Percent inhibition of caster oil induced diarrhea in rats at a dose of 30 mg/kg peroral administration after 6 hours; NS=Not siginificant ChEMBL. 3906127

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

1 literature reference was collected for this gene.

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