Detailed information for compound 810434

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.437 | Formula: C25H19N3O3
  • H donors: 0 H acceptors: 2 LogP: 3.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)n1c(C=C2c3ccccc3N(C2=O)C)nc2c(c1=O)cccc2
  • InChi: 1S/C25H19N3O3/c1-27-22-10-6-4-7-18(22)20(24(27)29)15-23-26-21-9-5-3-8-19(21)25(30)28(23)16-11-13-17(31-2)14-12-16/h3-15H,1-2H3/b20-15+
  • InChiKey: JAOQGVZUHKXIJJ-HMMYKYKNSA-N  

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
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0984 0.0984
Echinococcus granulosus cytosolic malate dehydrogenase 0.0527 0.4359 0.4359
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0513 0.4229 0.9702
Echinococcus granulosus L lactate dehydrogenase B chain 0.1114 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0527 0.4359 1
Brugia malayi Cytochrome P450 family protein 0.0117 0.0431 0.0431
Trypanosoma cruzi malate dehydrogenase, putative 0.0513 0.4229 0.9702
Loa Loa (eye worm) cytochrome P450 family protein 0.0117 0.0431 0.0431
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0527 0.4359 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Plasmodium vivax lactate dehydrogenase 0.1114 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Trypanosoma brucei malate dehydrogenase-related 0.0477 0.3884 0.8909
Leishmania major mitochondrial malate dehydrogenase 0.0513 0.4229 0.4229
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0117 0.0431 0.0989
Leishmania major glycosomal malate dehydrogenase 0.0513 0.4229 0.4229
Schistosoma mansoni malate dehydrogenase 0.0527 0.4359 0.4359
Trypanosoma cruzi cytochrome P450, putative 0.0117 0.0431 0.0989
Chlamydia trachomatis malate dehydrogenase 0.0527 0.4359 0.5
Leishmania major cytosolic malate dehydrogenase 0.0527 0.4359 0.4359
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.0984 0.0984
Echinococcus multilocularis lactate dehydrogenase a 0.1114 1 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.1114 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.017 0.0939 0.0939
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0527 0.4359 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.0984 0.0984
Leishmania major cytochrome p450-like protein 0.0117 0.0431 0.0431
Schistosoma mansoni malate dehydrogenase 0.1114 1 1
Trypanosoma brucei cytochrome P450, putative 0.0117 0.0431 0.0989
Leishmania major malate dehydrogenase 0.0513 0.4229 0.4229
Echinococcus multilocularis malate dehydrogenase 0.0513 0.4229 0.4229
Echinococcus granulosus lactate dehydrogenase a 0.1114 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0527 0.4359 1
Loa Loa (eye worm) malate dehydrogenase 0.0513 0.4229 0.4229
Echinococcus multilocularis lactate dehydrogenase a 0.1114 1 1
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0513 0.4229 0.9702
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Echinococcus multilocularis L lactate dehydrogenase 0.0637 0.542 0.542
Echinococcus granulosus malate dehydrogenase 0.0513 0.4229 0.4229
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0513 0.4229 0.9702
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Trypanosoma brucei cytosolic malate dehydrogenase 0.0527 0.4359 1
Echinococcus granulosus L lactate dehydrogenase 0.0637 0.542 0.542
Brugia malayi Cytochrome P450 family protein 0.017 0.0939 0.0939
Loa Loa (eye worm) hypothetical protein 0.1114 1 1
Toxoplasma gondii malate dehydrogenase MDH 0.1114 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0477 0.3884 0.8909
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0527 0.4359 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0477 0.3884 0.8316
Brugia malayi Cytochrome P450 family protein 0.0117 0.0431 0.0431
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0527 0.4359 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Echinococcus multilocularis malate dehydrogenase 0.0513 0.4229 0.4229
Trichomonas vaginalis malate dehydrogenase, putative 0.0282 0.2011 0.1684
Loa Loa (eye worm) acetyltransferase 0.0175 0.0984 0.0984
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0527 0.4359 1
Echinococcus granulosus lactate dehydrogenase protein 0.1114 1 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0527 0.4359 0.4359
Plasmodium falciparum malate dehydrogenase 0.1114 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0117 0.0431 0.0431
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0513 0.4229 0.9702
Echinococcus granulosus microtubule associated protein 2 0.0833 0.7304 0.7304
Leishmania major malate dehydrogenase, putative 0.1114 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Entamoeba histolytica malate dehydrogenase, putative 0.1114 1 1
Echinococcus multilocularis lactate dehydrogenase protein 0.1114 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0117 0.0431 0.0989
Echinococcus multilocularis lactate dehydrogenase a 0.1114 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.1268 0.1268
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0527 0.4359 0.4359
Schistosoma mansoni malate dehydrogenase 0.0527 0.4359 0.4359
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.0937 0.0937
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.7304 0.7304
Mycobacterium ulcerans malate dehydrogenase 0.0527 0.4359 1
Echinococcus granulosus geminin 0.0205 0.1268 0.1268
Echinococcus granulosus lactate dehydrogenase a 0.1114 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.1268 0.1268
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.7304 0.7304
Schistosoma mansoni L-lactate dehydrogenase 0.1114 1 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.1114 1 1
Echinococcus multilocularis geminin 0.0205 0.1268 0.1268
Loa Loa (eye worm) malate dehydrogenase 0.0527 0.4359 0.4359
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0527 0.4359 0.4359
Loa Loa (eye worm) CYP4Cod1 0.0117 0.0431 0.0431
Trypanosoma brucei glycosomal malate dehydrogenase 0.0513 0.4229 0.9702
Schistosoma mansoni malate dehydrogenase 0.0513 0.4229 0.4229
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.1114 1 0.5
Echinococcus granulosus cytosolic malate dehydrogenase 0.0527 0.4359 0.4359
Plasmodium falciparum L-lactate dehydrogenase 0.1114 1 1
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0513 0.4229 0.4229
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0527 0.4359 1
Leishmania major malate dehydrogenase, putative 0.0477 0.3884 0.3884
Echinococcus granulosus malate dehydrogenase 0.0513 0.4229 0.4229
Toxoplasma gondii lactate dehydrogenase LDH2 0.1114 1 1
Giardia lamblia Malate dehydrogenase 0.0527 0.4359 0.5
Plasmodium vivax malate dehydrogenase, putative 0.1114 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0527 0.4359 1
Schistosoma mansoni L-lactate dehydrogenase 0.0477 0.3884 0.3884

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.