Detailed information for compound 810624

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.497 | Formula: C25H25N5O4
  • H donors: 1 H acceptors: 5 LogP: 1.32 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cnc(cn1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)c1ccc2c(c1)OCCO2
  • InChi: 1S/C25H25N5O4/c1-15-10-28-21(13-26-15)24(31)29-12-20-16(2)27-11-18-14-30(6-5-19(18)20)25(32)17-3-4-22-23(9-17)34-8-7-33-22/h3-4,9-11,13H,5-8,12,14H2,1-2H3,(H,29,31)
  • InChiKey: BCULHBKNKWFNRG-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 lactate dehydrogenase a 0.1477 1 1
Leishmania major malate dehydrogenase, putative 0.1477 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0816 0.5407 0.9487
Schistosoma mansoni malate dehydrogenase 0.0857 0.5691 0.5621
Echinococcus multilocularis malate dehydrogenase 0.0816 0.5407 0.5332
Echinococcus multilocularis lactate dehydrogenase a 0.1477 1 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0857 0.5691 0.5621
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0816 0.5407 0.9487
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0857 0.5691 1
Loa Loa (eye worm) hypothetical protein 0.1477 1 1
Entamoeba histolytica malate dehydrogenase, putative 0.1477 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0857 0.5691 1
Loa Loa (eye worm) CYP4Cod1 0.0098 0.0419 0.0419
Brugia malayi MH2 domain containing protein 0.0116 0.0545 0.0391
Leishmania major malate dehydrogenase 0.0816 0.5407 0.5332
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0857 0.5691 1
Chlamydia trachomatis malate dehydrogenase 0.0857 0.5691 0.5
Trypanosoma cruzi malate dehydrogenase, putative 0.0707 0.4651 0.812
Echinococcus granulosus L lactate dehydrogenase B chain 0.1477 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Schistosoma mansoni malate dehydrogenase 0.1477 1 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0857 0.5691 0.5621
Trypanosoma brucei cytosolic malate dehydrogenase 0.0857 0.5691 1
Leishmania major malate dehydrogenase, putative 0.0707 0.4651 0.4564
Echinococcus granulosus malate dehydrogenase 0.0816 0.5407 0.5332
Echinococcus granulosus lactate dehydrogenase a 0.1477 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0707 0.4651 0.7078
Schistosoma mansoni L-lactate dehydrogenase 0.0707 0.4651 0.4564
Toxoplasma gondii malate dehydrogenase MDH 0.1477 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Trypanosoma brucei malate dehydrogenase-related 0.0707 0.4651 0.812
Leishmania major cytosolic malate dehydrogenase 0.0857 0.5691 0.5621
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0857 0.5691 1
Mycobacterium ulcerans malate dehydrogenase 0.0857 0.5691 1
Plasmodium vivax lactate dehydrogenase 0.1477 1 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.1477 1 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0545 0.0545
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0545 0.0545
Trypanosoma cruzi cytochrome P450, putative 0.0098 0.0419 0.0469
Plasmodium vivax malate dehydrogenase, putative 0.1477 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Leishmania major cytochrome p450-like protein 0.0098 0.0419 0.0264
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0857 0.5691 1
Brugia malayi Cytochrome P450 family protein 0.0098 0.0419 0.0264
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0816 0.5407 0.9487
Echinococcus granulosus lactate dehydrogenase a 0.1477 1 1
Trypanosoma brucei cytochrome P450, putative 0.0098 0.0419 0.0469
Schistosoma mansoni malate dehydrogenase 0.0857 0.5691 0.5621
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0098 0.0419 0.0469
Brugia malayi Cytochrome P450 family protein 0.0098 0.0419 0.0264
Echinococcus multilocularis malate dehydrogenase 0.0816 0.5407 0.5332
Plasmodium falciparum malate dehydrogenase 0.1477 1 1
Echinococcus multilocularis lactate dehydrogenase protein 0.1477 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0098 0.0419 0.0419
Echinococcus granulosus cytosolic malate dehydrogenase 0.0857 0.5691 0.5621
Loa Loa (eye worm) malate dehydrogenase 0.0857 0.5691 0.5691
Echinococcus granulosus malate dehydrogenase 0.0816 0.5407 0.5332
Leishmania major mitochondrial malate dehydrogenase 0.0816 0.5407 0.5332
Schistosoma mansoni L-lactate dehydrogenase 0.1477 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0494 0.3173 0.2922
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0857 0.5691 1
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0816 0.5407 0.9487
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0816 0.5407 0.5332
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0816 0.5407 0.9487
Echinococcus multilocularis L lactate dehydrogenase B chain 0.1477 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0098 0.0419 0.0469
Loa Loa (eye worm) cytochrome P450 family protein 0.0142 0.0725 0.0725
Giardia lamblia Malate dehydrogenase 0.0857 0.5691 0.5
Toxoplasma gondii lactate dehydrogenase LDH2 0.1477 1 1
Plasmodium falciparum L-lactate dehydrogenase 0.1477 1 1
Brugia malayi Cytochrome P450 family protein 0.0142 0.0725 0.0574
Loa Loa (eye worm) cytochrome P450 family protein 0.0098 0.0419 0.0419
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0857 0.5691 0.5621
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0857 0.5691 1
Echinococcus multilocularis L lactate dehydrogenase 0.077 0.5089 0.501
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0857 0.5691 0.5621
Echinococcus granulosus L lactate dehydrogenase 0.077 0.5089 0.501
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0857 0.5691 1
Trypanosoma brucei glycosomal malate dehydrogenase 0.0816 0.5407 0.9487
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Echinococcus multilocularis lactate dehydrogenase a 0.1477 1 1
Loa Loa (eye worm) malate dehydrogenase 0.0816 0.5407 0.5407
Toxoplasma gondii lactate dehydrogenase LDH1 0.1477 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0857 0.5691 1
Schistosoma mansoni malate dehydrogenase 0.0816 0.5407 0.5332
Leishmania major glycosomal malate dehydrogenase 0.0816 0.5407 0.5332
Echinococcus granulosus lactate dehydrogenase protein 0.1477 1 1
Loa Loa (eye worm) cytochrome P450 0.006 0.016 0.016

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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