Detailed information for compound 415260

Basic information

Technical information
  • TDR Targets ID: 415260
  • Name: N-hydroxy-N'-[3-(N-methylanilino)propyl]-2-(2 -methylpropyl)propanediamide
  • MW: 321.415 | Formula: C17H27N3O3
  • H donors: 3 H acceptors: 3 LogP: 2.4 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)C(C(=O)NCCCN(c1ccccc1)C)CC(C)C
  • InChi: 1S/C17H27N3O3/c1-13(2)12-15(17(22)19-23)16(21)18-10-7-11-20(3)14-8-5-4-6-9-14/h4-6,8-9,13,15,23H,7,10-12H2,1-3H3,(H,18,21)(H,19,22)
  • InChiKey: FTWVTLWENRXGNR-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(hydroxycarbamoyl)-4-methyl-N-[3-(N-methylanilino)propyl]pentanamide
  • 2-[(hydroxyamino)-oxomethyl]-4-methyl-N-[3-(N-methylanilino)propyl]pentanamide
  • N-hydroxy-N'-[3-[methyl(phenyl)amino]propyl]-2-(2-methylpropyl)propanediamide
  • 2-(hydroxycarbamoyl)-4-methyl-N-[3-(N-methylanilino)propyl]valeramide
  • N-hydroxy-N'-[3-(methyl-phenylamino)propyl]-2-(2-methylpropyl)propanediamide
  • 2-(hydroxycarbamoyl)-4-methyl-N-[3-(methyl-phenyl-amino)propyl]pentanamide
  • 2-[(hydroxyamino)-oxomethyl]-4-methyl-N-[3-(methyl-phenylamino)propyl]pentanamide
  • 2-(hydroxycarbamoyl)-4-methyl-N-[3-(methyl-phenyl-amino)propyl]valeramide
  • N-hydroxy-N'-[3-(methyl-phenyl-amino)propyl]-2-(2-methylpropyl)propanediamide

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
Giardia lamblia Kinase, CMGC CDK 0.0144 0.2782 0.4858
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0144 0.2782 0.2646
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0144 0.2782 0.0533
Entamoeba histolytica protein kinase, putative 0.0214 0.553 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0185 0.0335
Echinococcus granulosus cyclin dependent kinase 0.0144 0.2782 0.2646
Echinococcus multilocularis cyclin dependent kinase 1 0.0144 0.2782 0.2646
Entamoeba histolytica cyclin, putative 0.0134 0.2376 0.4098
Giardia lamblia Kinase, CMGC GSK 0.0214 0.553 1
Brugia malayi cell division control protein 2 homolog 0.0144 0.2782 0.0533
Echinococcus multilocularis cyclin B 0.0134 0.2376 0.2232
Trypanosoma cruzi cdc2-related kinase 3 0.0144 0.2782 0.1288
Trichomonas vaginalis cyclins, putative 0.0134 0.2376 0.4296
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0214 0.553 0.5446
Trypanosoma brucei cdc2-related kinase 3 0.0144 0.2782 0.1288
Trichomonas vaginalis cyclin B3, putative 0.0079 0.0185 0.0335
Trypanosoma cruzi cdc2-related kinase 1 0.0144 0.2782 0.1288
Echinococcus multilocularis protein kinase shaggy 0.0214 0.553 0.5446
Loa Loa (eye worm) cyclin domain-containing protein 0.0326 1 1
Schistosoma mansoni cyclin B3 0.0326 1 1
Trypanosoma brucei protein kinase, putative 0.0214 0.553 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.0214 0.553 1
Trichomonas vaginalis CMGC family protein kinase 0.0214 0.553 1
Trypanosoma cruzi cdc2-related kinase 3 0.0144 0.2782 0.1288
Brugia malayi intracellular kinase 0.0214 0.553 0.4137
Plasmodium falciparum protein kinase 5 0.0144 0.2782 0.4858
Loa Loa (eye worm) hypothetical protein 0.0141 0.2641 0.0348
Trichomonas vaginalis cyclins, putative 0.0134 0.2376 0.4296
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0214 0.553 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0144 0.2782 0.0533
Giardia lamblia Kinase, CMGC GSK 0.0214 0.553 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0214 0.553 0.4137
Onchocerca volvulus 0.0214 0.553 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0326 1 1
Trichomonas vaginalis cyclin B, putative 0.0134 0.2376 0.4296
Trichomonas vaginalis cyclin B, putative 0.0079 0.0185 0.0335
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0326 1 1
Trichomonas vaginalis cyclin B, putative 0.0134 0.2376 0.4296
Echinococcus multilocularis cyclin dependent kinase 5 0.0144 0.2782 0.2646
Trichomonas vaginalis CMGC family protein kinase 0.0214 0.553 1
Trichomonas vaginalis cyclin A, putative 0.0134 0.2376 0.4296
Entamoeba histolytica cell division protein kinase 2, putative 0.0144 0.2782 0.4858
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0144 0.2782 0.0533
Echinococcus multilocularis cyclin dependent kinase 0.0144 0.2782 0.2646
Trichomonas vaginalis CMGC family protein kinase 0.0144 0.2782 0.5031
Entamoeba histolytica protein kinase domain containing protein 0.0214 0.553 1
Giardia lamblia G2/mitotic-specific cyclin B 0.0134 0.2376 0.4098
Trichomonas vaginalis CMGC family protein kinase 0.0144 0.2782 0.5031
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0144 0.2782 0.1288
Schistosoma mansoni serine/threonine protein kinase 0.0144 0.2782 0.2646
Trichomonas vaginalis cyclin B, putative 0.0134 0.2376 0.4296
Brugia malayi Protein kinase domain containing protein 0.0144 0.2782 0.0533
Entamoeba histolytica cell division protein kinase 2, putative 0.0144 0.2782 0.4858
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0214 0.553 0.5446
Schistosoma mansoni serine/threonine protein kinase 0.0144 0.2782 0.2646
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0214 0.553 0.5446
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0214 0.553 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0214 0.553 0.4137
Entamoeba histolytica protein kinase domain containing protein 0.0214 0.553 1
Schistosoma mansoni cyclin B 0.0134 0.2376 0.2232
Trichomonas vaginalis cyclins, putative 0.0134 0.2376 0.4296
Trypanosoma cruzi cdc2-related kinase 1 0.0144 0.2782 0.1288
Trichomonas vaginalis cyclin B, putative 0.0134 0.2376 0.4296
Trichomonas vaginalis cyclins, putative 0.0134 0.2376 0.4296
Trichomonas vaginalis cyclin D, putative 0.0079 0.0185 0.0335
Trichomonas vaginalis cyclins, putative 0.0079 0.0185 0.0335
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0144 0.2782 0.1288
Echinococcus granulosus cyclin dependent kinase 5 0.0144 0.2782 0.2646
Echinococcus granulosus cyclin dependent kinase 1 0.0144 0.2782 0.2646
Plasmodium falciparum glycogen synthase kinase 3 0.0214 0.553 1
Echinococcus granulosus cyclin B 0.0134 0.2376 0.2232
Trichomonas vaginalis CMGC family protein kinase 0.0144 0.2782 0.5031
Echinococcus multilocularis cyclin dependent kinase 1 0.0144 0.2782 0.2646
Trypanosoma brucei cdc2-related kinase 1 0.0144 0.2782 0.1288
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0214 0.553 1
Giardia lamblia Kinase, CMGC CDK 0.0144 0.2782 0.4858
Trichomonas vaginalis cyclin D, putative 0.0079 0.0185 0.0335
Echinococcus granulosus protein kinase shaggy 0.0214 0.553 0.5446

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 66 % Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase at 10 uM ChEMBL. 17326615
Inhibition (binding) = 66 % Inhibition of Plasmodium falciparum FcB1 M1 aminopeptidase at 10 uM ChEMBL. 17326615
Inhibition (binding) = 81 % Inhibition of pig kidney microsomal APN at 10 uM ChEMBL. 17326615
Inhibition (binding) = 81 % Inhibition of pig kidney microsomal APN at 10 uM ChEMBL. 17326615

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

1 literature reference was collected for this gene.

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