Detailed information for compound 810772

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 447.592 | Formula: C26H29N3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.25 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1cccs1)NCc1c(C)ncc2c1CCN(C2)C(=O)CCCc1ccccc1
  • InChi: 1S/C26H29N3O2S/c1-19-24(17-28-25(30)15-22-10-6-14-32-22)23-12-13-29(18-21(23)16-27-19)26(31)11-5-9-20-7-3-2-4-8-20/h2-4,6-8,10,14,16H,5,9,11-13,15,17-18H2,1H3,(H,28,30)
  • InChiKey: RXAUAYXLPOQJKV-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
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0568 0.4006 0.7271
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0595 0.4333 1
Loa Loa (eye worm) malate dehydrogenase 0.0595 0.4333 0.0547
Echinococcus granulosus lactate dehydrogenase protein 0.1056 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 1
Loa Loa (eye worm) hypothetical protein 0.1056 1 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.1056 1 0.5
Echinococcus granulosus cytosolic malate dehydrogenase 0.0595 0.4333 0.0724
Echinococcus granulosus malate dehydrogenase 0.0568 0.4006 0.0188
Toxoplasma gondii lactate dehydrogenase LDH1 0.1056 1 0.5
Leishmania major malate dehydrogenase, putative 0.1056 1 1
Leishmania major mitochondrial malate dehydrogenase 0.0568 0.4006 0.1271
Leishmania major cytosolic malate dehydrogenase 0.0595 0.4333 0.1748
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0568 0.4006 0.7271
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0595 0.4333 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.1056 1 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0568 0.4006 0.7271
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0595 0.4333 1
Schistosoma mansoni malate dehydrogenase 0.1056 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0595 0.4333 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0595 0.4333 0.0724
Plasmodium vivax lactate dehydrogenase 0.1056 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 1
Toxoplasma gondii malate dehydrogenase MDH 0.1056 1 0.5
Schistosoma mansoni L-lactate dehydrogenase 0.1056 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 1
Schistosoma mansoni malate dehydrogenase 0.0595 0.4333 0.1748
Echinococcus granulosus cytosolic malate dehydrogenase 0.0595 0.4333 0.0724
Echinococcus granulosus lactate dehydrogenase a 0.1056 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0595 0.4333 0.0724
Echinococcus multilocularis lactate dehydrogenase protein 0.1056 1 1
Echinococcus multilocularis lactate dehydrogenase a 0.1056 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.034 0.12 0.277
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0595 0.4333 0.0547
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 1
Leishmania major glycosomal malate dehydrogenase 0.0568 0.4006 0.1271
Plasmodium falciparum malate dehydrogenase 0.1056 1 1
Mycobacterium ulcerans malate dehydrogenase 0.0595 0.4333 0.5
Chlamydia trachomatis malate dehydrogenase 0.0595 0.4333 0.5
Echinococcus granulosus malate dehydrogenase 0.0568 0.4006 0.0188
Trypanosoma cruzi malate dehydrogenase, putative 0.0568 0.4006 0.7271
Trypanosoma brucei glycosomal malate dehydrogenase 0.0568 0.4006 0.7271
Echinococcus multilocularis malate dehydrogenase 0.0568 0.4006 0.0188
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0595 0.4333 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 1
Echinococcus granulosus L lactate dehydrogenase B chain 0.1056 1 1
Echinococcus multilocularis lactate dehydrogenase a 0.1056 1 1
Echinococcus granulosus lactate dehydrogenase a 0.1056 1 1
Leishmania major malate dehydrogenase 0.0568 0.4006 0.1271
Giardia lamblia Malate dehydrogenase 0.0595 0.4333 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 1
Schistosoma mansoni malate dehydrogenase 0.0595 0.4333 0.1748
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0595 0.4333 0.5
Toxoplasma gondii lactate dehydrogenase LDH2 0.1056 1 0.5
Plasmodium falciparum L-lactate dehydrogenase 0.1056 1 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0568 0.4006 0.7271
Entamoeba histolytica malate dehydrogenase, putative 0.1056 1 1
Echinococcus multilocularis malate dehydrogenase 0.0568 0.4006 0.0188
Schistosoma mansoni malate dehydrogenase 0.0568 0.4006 0.1271
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0595 0.4333 1
Trypanosoma brucei cytosolic malate dehydrogenase 0.0595 0.4333 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0595 0.4333 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0497 0.3133 0.723
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 1
Echinococcus multilocularis lactate dehydrogenase a 0.1056 1 1
Plasmodium vivax malate dehydrogenase, putative 0.1056 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0595 0.4333 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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