Detailed information for compound 806742

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 479.982 | Formula: C24H22ClN5O2S
  • H donors: 0 H acceptors: 3 LogP: 4.16 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1nnc(n1c1cccc(c1)Cl)SCc1ccncc1)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C24H22ClN5O2S/c1-29(13-18-5-6-21-22(11-18)32-16-31-21)14-23-27-28-24(33-15-17-7-9-26-10-8-17)30(23)20-4-2-3-19(25)12-20/h2-12H,13-16H2,1H3
  • InChiKey: YXDFTNNPFBJUDQ-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
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0192 0.0601 0.0648
Echinococcus granulosus non lysosomal glucosylceramidase 0.0836 0.4275 0.4268
Loa Loa (eye worm) malate dehydrogenase 0.0192 0.0601 0.059
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0192 0.0599 0.0642
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1467 0.788 0.5
Brugia malayi Ceramide glucosyltransferase 0.0794 0.4034 0.4027
Trichomonas vaginalis glucosylceramidase, putative 0.0519 0.2467 0.5751
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0192 0.0601 0.059
Loa Loa (eye worm) hypothetical protein 0.0564 0.2724 0.2715
Giardia lamblia Ceramide glucosyltransferase 0.036 0.1557 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0192 0.0601 0.0648
Schistosoma mansoni bile acid beta-glucosidase-related 0.0836 0.4275 0.4814
Trypanosoma cruzi hypothetical protein, conserved 0.0388 0.1717 1
Schistosoma mansoni hypothetical protein 0.0089 0.0012 0.0014
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0388 0.1717 0.1707
Trichomonas vaginalis glucosylceramidase, putative 0.0519 0.2467 0.5751
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Trichomonas vaginalis glucosylceramidase, putative 0.0791 0.402 1
Trypanosoma brucei cytosolic malate dehydrogenase 0.0192 0.0601 0.3502
Echinococcus multilocularis expressed protein 0.0403 0.1801 0.1791
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0192 0.0601 0.0021
Trichomonas vaginalis alpha-glucosidase, putative 0.0192 0.0599 0.0642
Echinococcus granulosus ceramide glucosyltransferase 0.0794 0.4034 0.4027
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.1467 0.788 1
Schistosoma mansoni bile acid beta-glucosidase-related 0.0836 0.4275 0.4814
Echinococcus granulosus expressed protein 0.0403 0.1801 0.1791
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0192 0.0601 0.059
Trichomonas vaginalis glucosylceramidase, putative 0.0791 0.402 1
Echinococcus multilocularis bile acid beta glucosidase 0.0836 0.4275 0.4268
Echinococcus granulosus cytosolic malate dehydrogenase 0.0192 0.0601 0.059
Trichomonas vaginalis glucosylceramidase, putative 0.0519 0.2467 0.5751
Trichomonas vaginalis maltase-glucoamylase, putative 0.0192 0.0599 0.0642
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.1467 0.788 1
Onchocerca volvulus 0.1158 0.6114 1
Schistosoma mansoni hypothetical protein 0.0089 0.0012 0.0014
Schistosoma mansoni hypothetical protein 0.0089 0.0012 0.0014
Trichomonas vaginalis alpha-glucosidase, putative 0.0388 0.1717 0.3701
Echinococcus multilocularis lysosomal alpha glucosidase 0.1838 1 1
Schistosoma mansoni alpha glucosidase 0.0388 0.1717 0.1933
Trichomonas vaginalis alpha-glucosidase, putative 0.0388 0.1717 0.3701
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.1467 0.788 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.1838 1 1
Onchocerca volvulus Glucosylceramidase homolog 0.0519 0.2467 0.3387
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0192 0.0601 0.059
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1838 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0791 0.402 1
Loa Loa (eye worm) ceramide glucosyltransferase 0.0794 0.4034 0.4027
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Trichomonas vaginalis glucosylceramidase, putative 0.0791 0.402 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Trichomonas vaginalis alpha-glucosidase, putative 0.0388 0.1717 0.3701
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0388 0.1717 0.3701
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Echinococcus multilocularis microtubule associated protein 2 0.0744 0.3753 0.3745
Trichomonas vaginalis alpha-glucosidase, putative 0.0388 0.1717 0.3701
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Schistosoma mansoni alpha-glucosidase 0.1643 0.8882 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0791 0.402 0.4013
Trichomonas vaginalis glucosylceramidase, putative 0.0519 0.2467 0.5751
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Brugia malayi Glycosyl hydrolases family 31 protein 0.0388 0.1717 0.1707
Schistosoma mansoni malate dehydrogenase 0.0192 0.0601 0.0677
Trichomonas vaginalis glucosylceramidase, putative 0.0519 0.2467 0.5751
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0353 0.1517 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0192 0.0601 0.0021
Trichomonas vaginalis glucosylceramidase, putative 0.0791 0.402 1
Schistosoma mansoni apoptosis regulator bax 0.0089 0.0012 0.0014
Trichomonas vaginalis alpha-glucosidase, putative 0.0192 0.0599 0.0642
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0089 0.0012 0.0014
Trichomonas vaginalis glucosylceramidase, putative 0.0791 0.402 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0388 0.1717 0.3701
Trichomonas vaginalis alpha-glucosidase, putative 0.0192 0.0599 0.0642
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0192 0.0599 0.0642
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1467 0.788 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Trypanosoma brucei glycosyl hydrolase-like protein 0.0192 0.0599 0.3488
Echinococcus granulosus cytosolic malate dehydrogenase 0.0192 0.0601 0.059
Brugia malayi Glycosyl hydrolases family 31 protein 0.0192 0.0599 0.0587
Chlamydia trachomatis 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1467 0.788 1
Schistosoma mansoni ceramide glucosyltransferase 0.0794 0.4034 0.4542
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0791 0.402 0.4013
Trichomonas vaginalis alpha-glucosidase, putative 0.0388 0.1717 0.3701
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0192 0.0601 0.0648
Loa Loa (eye worm) hypothetical protein 0.0192 0.0599 0.0587
Trypanosoma cruzi hypothetical protein, conserved 0.0388 0.1717 1
Entamoeba histolytica malate dehydrogenase, putative 0.0192 0.0601 0.0021
Trichomonas vaginalis glucosylceramidase, putative 0.0547 0.2626 0.6187
Echinococcus granulosus neutral alpha glucosidase AB 0.0388 0.1717 0.1707
Trypanosoma brucei glucosidase, putative 0.0388 0.1717 1
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1467 0.788 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0388 0.1717 1
Schistosoma mansoni alpha-glucosidase 0.1643 0.8882 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.0601 0.0648
Trichomonas vaginalis alpha-glucosidase, putative 0.0192 0.0599 0.0642
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0794 0.4034 0.6229
Echinococcus granulosus bile acid beta glucosidase 0.0836 0.4275 0.4268
Trichomonas vaginalis glucosylceramidase, putative 0.0547 0.2626 0.6187
Schistosoma mansoni ceramide glucosyltransferase 0.0794 0.4034 0.4542
Leishmania major cytosolic malate dehydrogenase 0.0192 0.0601 0.0021
Schistosoma mansoni microtubule-associated protein tau 0.0744 0.3753 0.4225
Trichomonas vaginalis maltase-glucoamylase, putative 0.0388 0.1717 0.3701
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0192 0.0601 0.0021
Echinococcus multilocularis neutral alpha glucosidase AB 0.0388 0.1717 0.1707
Echinococcus multilocularis lysosomal alpha glucosidase 0.1838 1 1
Echinococcus granulosus microtubule associated protein 2 0.0744 0.3753 0.3745
Schistosoma mansoni malate dehydrogenase 0.0192 0.0601 0.0677
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0388 0.1717 1
Trichomonas vaginalis glucosylceramidase, putative 0.0519 0.2467 0.5751
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0836 0.4275 0.4268
Echinococcus multilocularis ceramide glucosyltransferase 0.0794 0.4034 0.4027
Trichomonas vaginalis glucosylceramidase, putative 0.0519 0.2467 0.5751
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1467 0.788 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0388 0.1717 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0192 0.0601 0.0648
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0388 0.1717 0.3701
Trichomonas vaginalis alpha-glucosidase, putative 0.0192 0.0599 0.0642

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.

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