Detailed information for compound 1659441

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.926 | Formula: C17H17ClN4OS2
  • H donors: 2 H acceptors: 1 LogP: 3.38 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)SCc1ccccc1C(=O)c1ccc(cc1CSC(=N)N)Cl
  • InChi: 1S/C17H17ClN4OS2/c18-12-5-6-14(11(7-12)9-25-17(21)22)15(23)13-4-2-1-3-10(13)8-24-16(19)20/h1-7H,8-9H2,(H3,19,20)(H3,21,22)
  • InChiKey: MJOORKVVDZCKMJ-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
Leishmania major AMP deaminase, putative 0.003 0.1699 0.046
Echinococcus multilocularis adenosine deaminase 0.0092 0.7598 0.9769
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.7778 0.7411
Trypanosoma cruzi AMP deaminase, putative 0.003 0.1699 1
Leishmania major hypothetical protein, conserved 0.003 0.1699 0.046
Echinococcus granulosus AMP deaminase 2 0.003 0.1699 0.2185
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0082 0.658 0.8461
Toxoplasma gondii AMP deaminase 0.003 0.1699 0.0456
Trichomonas vaginalis adenosine deaminase, putative 0.0092 0.7598 0.5
Plasmodium vivax adenosine/AMP deaminase, putative 0.003 0.1699 0.046
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.003 0.1699 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.4748 0.3882
Leishmania major adenine aminohydrolase 0.0092 0.7598 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.7778 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.4748 0.3882
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.7778 1
Plasmodium falciparum adenosine deaminase 0.0092 0.7598 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0082 0.658 0.6017
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.003 0.1699 0.046
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0092 0.7598 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.1699 0.0331
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.003 0.1699 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.7652 0.7265
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 1 1
Schistosoma mansoni adenosine deaminase 0.0092 0.7598 0.9769
Schistosoma mansoni adenosine deaminase-related 0.0092 0.7598 0.9769
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0092 0.7598 0.9913
Trypanosoma cruzi AMP deaminase, putative 0.003 0.1699 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0093 0.7652 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.4748 0.3882
Trypanosoma cruzi AMP deaminase, putative 0.003 0.1699 1
Plasmodium vivax adenosine deaminase, putative 0.0092 0.7598 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0093 0.7652 0.9838
Onchocerca volvulus Adenosine deaminase homolog 0.0092 0.7598 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.7778 1
Treponema pallidum adenosine deaminase 0.0092 0.7598 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.7778 1
Entamoeba histolytica adenosine deaminase, putative 0.0092 0.7598 1
Trypanosoma brucei AMP deaminase, putative 0.003 0.1699 1
Echinococcus granulosus adenosine deaminase 0.0092 0.7598 0.9769
Trypanosoma brucei AMP deaminase, putative 0.003 0.1699 1
Trypanosoma brucei AMP deaminase, putative 0.003 0.1699 1
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.003 0.1699 0.046
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.7778 0.7659
Schistosoma mansoni AMP deaminase 0.003 0.1699 0.2185
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0093 0.7652 0.9838
Trypanosoma cruzi AMP deaminase, putative 0.003 0.1699 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 1 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0093 0.7652 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0093 0.7652 0.9838
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0082 0.658 0.6398
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0092 0.7598 0.5
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.003 0.1699 1
Brugia malayi hypothetical protein 0.0027 0.1415 0.0958
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.7778 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.7778 1
Trypanosoma cruzi AMP deaminase, putative 0.003 0.1699 1
Loa Loa (eye worm) AMP deaminase 0.003 0.1699 0.0331
Plasmodium falciparum AMP deaminase, putative 0.003 0.1699 0.046
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0092 0.7598 0.9913
Brugia malayi adenosine monophosphate deaminase 0.003 0.1699 0.1257
Entamoeba histolytica adenosine deaminase, putative 0.0092 0.7598 1
Trichomonas vaginalis adenosine deaminase, putative 0.0092 0.7598 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0093 0.7652 0.9838
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.7778 1
Mycobacterium ulcerans adenosine deaminase 0.0092 0.7598 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0082 0.658 0.8461
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0093 0.7652 0.9838
Brugia malayi Adenosine/AMP deaminase family protein 0.0092 0.7598 0.747
Loa Loa (eye worm) hypothetical protein 0.0092 0.7598 0.7202
Loa Loa (eye worm) hypothetical protein 0.0062 0.4748 0.3882
Trypanosoma cruzi AMP deaminase 2, putative 0.003 0.1699 1
Echinococcus multilocularis AMP deaminase 2 0.003 0.1699 0.2185
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.003 0.1699 0.046

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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