Detailed information for compound 878700

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.307 | Formula: C17H18Cl2N2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1CCN(CC1)C(=O)c1csc(n1)COc1ccc(cc1Cl)Cl
  • InChi: 1S/C17H18Cl2N2O3S/c18-12-1-2-15(13(19)7-12)24-9-16-20-14(10-25-16)17(23)21-5-3-11(8-22)4-6-21/h1-2,7,10-11,22H,3-6,8-9H2
  • InChiKey: ZRWHBTVTLFNLPG-UHFFFAOYSA-N  

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 methylthioadenosine phosphorylase 0.1743 0.3161 0.3161
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.1743 0.3161 1
Brugia malayi MTAP 0.1743 0.3161 0.3161
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.1743 0.3161 0.1234
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.4924 1 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.1508 0.2655 0.2655
Leishmania major methylthioadenosine phosphorylase, putative 0.1743 0.3161 1
Echinococcus granulosus purine nucleoside phosphorylase 0.4924 1 1
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.4924 1 1
Toxoplasma gondii Purine nucleoside phosphorylase 0.4116 0.8263 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.1508 0.2655 0.8399
Echinococcus granulosus purine nucleoside phosphorylase 0.4924 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.4924 1 1
Echinococcus granulosus uridine phosphorylase 1 0.1508 0.2655 0.2655
Echinococcus granulosus purine nucleoside phosphorylase 0.4924 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.4924 1 1
Loa Loa (eye worm) hypothetical protein 0.3416 0.6758 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.4116 0.8263 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1508 0.2655 0.2655
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.1743 0.3161 0.3161
Toxoplasma gondii phosphorylase family protein 0.1508 0.2655 0.3213
Echinococcus multilocularis purine nucleoside phosphorylase 0.4924 1 1
Chlamydia trachomatis AMP nucleosidase 0.1508 0.2655 0.5
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.4924 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1508 0.2655 0.2655
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1508 0.2655 0.2655
Echinococcus multilocularis methylthioadenosine phosphorylase 0.1743 0.3161 0.3161
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.1508 0.2655 0.2655
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.1743 0.3161 1
Echinococcus granulosus purine nucleoside phosphorylase 0.4924 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.4924 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1508 0.2655 0.2655
Schistosoma mansoni purine nucleoside phosphorylase 0.4924 1 1
Treponema pallidum uridine phosphorylase (udp) 0.4116 0.8263 1
Schistosoma mansoni uridine phosphorylase 0.1508 0.2655 0.2655
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.1743 0.3161 1
Brugia malayi uridine phosphorylase family protein 0.1508 0.2655 0.2655
Echinococcus multilocularis purine nucleoside phosphorylase 0.4924 1 1
Echinococcus granulosus methylthioadenosine phosphorylase 0.1743 0.3161 0.3161
Echinococcus granulosus purine nucleoside phosphorylase 0.4924 1 1
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.1508 0.2655 0.2655
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.3416 0.6758 0.6758
Echinococcus multilocularis purine nucleoside phosphorylase 0.4924 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1508 0.2655 0.2655
Trypanosoma cruzi nucleoside phosphorylase, putative 0.1508 0.2655 0.8399
Trypanosoma cruzi nucleoside phosphorylase, putative 0.1508 0.2655 0.8399
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.4924 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.3416 0.6758 0.6758
Mycobacterium ulcerans purine nucleoside phosphorylase 0.4924 1 1
Trypanosoma brucei uridine phosphorylase 0.1508 0.2655 0.8399
Schistosoma mansoni uridine phosphorylase 0.1508 0.2655 0.2655
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1508 0.2655 0.2655
Schistosoma mansoni methylthioadenosine phosphorylase 0.1508 0.2655 0.2655
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.4116 0.8263 0.8263
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.4116 0.8263 1
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.4116 0.8263 1
Toxoplasma gondii phosphorylase family protein 0.1508 0.2655 0.3213
Schistosoma mansoni methylthioadenosine phosphorylase 0.1743 0.3161 0.3161
Plasmodium falciparum purine nucleoside phosphorylase 0.4116 0.8263 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.4924 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.4116 0.8263 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.1508 0.2655 0.2655
Leishmania major nucleoside phosphorylase-like protein 0.1508 0.2655 0.8399
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.4924 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.4924 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.4924 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.3416 0.6758 0.6758
Giardia lamblia UPL-1 0.1508 0.2655 0.2655
Echinococcus multilocularis uridine phosphorylase 1 0.1508 0.2655 0.2655
Echinococcus granulosus purine nucleoside phosphorylase 0.4924 1 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.4116 0.8263 0.8263

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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