Detailed information for compound 806743

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 472.6 | Formula: C24H32N4O4S
  • H donors: 0 H acceptors: 3 LogP: 2.45 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC1CCN(CC1)C(=O)c1csc(n1)C)CN1CCN(CC1)C(=O)C
  • InChi: 1S/C24H32N4O4S/c1-17-25-21(16-33-17)24(30)28-8-6-20(7-9-28)32-23-14-19(4-5-22(23)31-3)15-26-10-12-27(13-11-26)18(2)29/h4-5,14,16,20H,6-13,15H2,1-3H3
  • InChiKey: NGGCSLWDYNJXHI-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
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0192 0.1067 0.1662
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.009 0.0354 0.0138
Echinococcus multilocularis expressed protein 0.0405 0.2561 0.4855
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.009 0.0354 0.0833
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Trypanosoma brucei cytosolic malate dehydrogenase 0.0192 0.1067 1
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.1467 1 1
Schistosoma mansoni malate dehydrogenase 0.0192 0.1067 0.1662
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.009 0.0354 0.0138
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.1467 1 1
Giardia lamblia Malate dehydrogenase 0.0192 0.1067 0.5
Schistosoma mansoni apoptosis regulator bax 0.009 0.0354 0.0138
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0192 0.1067 0.1662
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0192 0.1067 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0192 0.1067 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Entamoeba histolytica malate dehydrogenase, putative 0.0192 0.1067 1
Trichomonas vaginalis malate dehydrogenase, putative 0.015 0.0778 0.7288
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0081 0.0289 0.2712
Trypanosoma brucei RNA helicase, putative 0.0082 0.0298 0.0107
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0192 0.1067 1
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1467 1 1
Schistosoma mansoni malate dehydrogenase 0.0192 0.1067 0.1662
Echinococcus multilocularis microtubule associated protein 2 0.0749 0.4968 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.009 0.0354 0.0138
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1467 1 1
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.1467 1 1
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1467 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Schistosoma mansoni hypothetical protein 0.0082 0.0298 0.0018
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0192 0.1067 0.1662
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0353 0.2196 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0354 0.0833
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0192 0.1067 1
Echinococcus granulosus microtubule associated protein 2 0.0749 0.4968 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Schistosoma mansoni hypothetical protein 0.009 0.0354 0.0138
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0192 0.1067 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Schistosoma mansoni hypothetical protein 0.009 0.0354 0.0138
Loa Loa (eye worm) malate dehydrogenase 0.0192 0.1067 1
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.1467 1 0.5
Schistosoma mansoni hypothetical protein 0.009 0.0354 0.0138
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.009 0.0354 0.0138
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0192 0.1067 1
Leishmania major cytosolic malate dehydrogenase 0.0192 0.1067 1
Echinococcus granulosus expressed protein 0.0405 0.2561 0.4855
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Loa Loa (eye worm) apoptosis regulator protein 0.009 0.0354 0.0833
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0192 0.1067 0.1662
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0192 0.1067 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.009 0.0354 0.0138
Schistosoma mansoni microtubule-associated protein tau 0.0749 0.4968 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0192 0.1067 1
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0192 0.1067 1

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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