Detailed information for compound 885332

Basic information

Technical information
  • TDR Targets ID: 885332
  • Name: 2-[4-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoy l]-1,4-diazepan-1-yl]-N-phenylacetamide
  • MW: 375.465 | Formula: C19H29N5O3
  • H donors: 2 H acceptors: 3 LogP: 0.21 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(NC(=O)CCC(=O)N1CCCN(CC1)CC(=O)Nc1ccccc1)C
  • InChi: 1S/C19H29N5O3/c1-22(2)21-17(25)9-10-19(27)24-12-6-11-23(13-14-24)15-18(26)20-16-7-4-3-5-8-16/h3-5,7-8H,6,9-15H2,1-2H3,(H,20,26)(H,21,25)
  • InChiKey: ZIXGSKUTRVPBRJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-[4-(N',N'-dimethylhydrazino)-4-oxo-butanoyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide
  • 2-[4-[4-(N',N'-dimethylhydrazino)-1,4-dioxobutyl]-1,4-diazepan-1-yl]-N-phenylacetamide
  • 2-[4-[4-(N',N'-dimethylhydrazino)-4-keto-butanoyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide
  • 2-[4-[4-(2,2-dimethylhydrazinyl)-4-oxo-butanoyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide

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
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0272 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0272 0.0576
Giardia lamblia Fructose-bisphosphate aldolase 0.0339 1 1
Schistosoma mansoni DNA polymerase eta 0.0022 0.0272 0.0605
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0019 0.0161 0.0335
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0272 1
Schistosoma mansoni protein kinase 0.0075 0.1905 0.4236
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0024 0.031 0.0674
Loa Loa (eye worm) TK/EGFR protein kinase 0.0153 0.4282 0.9322
Loa Loa (eye worm) variant SH3 domain-containing protein 0.002 0.0197 0.0413
Loa Loa (eye worm) SRC-1 0.0024 0.031 0.066
Onchocerca volvulus Protein cycle homolog 0.0019 0.0161 0.3942
Loa Loa (eye worm) sex muscle abnormal protein 5 0.002 0.0197 0.0413
Schistosoma mansoni protein kinase 0.012 0.3282 0.7299
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0272 0.0588
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0272 0.0605
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0272 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0024 0.031 0.0674
Echinococcus granulosus tyrosine protein kinase Src42A 0.0024 0.031 0.0674
Echinococcus multilocularis protein kinase 0.012 0.3282 0.7295
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0165 0.4672 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0272 1
Brugia malayi Furin-like cysteine rich region family protein 0.0153 0.4282 0.9322
Echinococcus granulosus tyrosine protein kinase Src64B 0.0024 0.031 0.0674
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0165 0.4672 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0272 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0272 0.0264
Brugia malayi protein C17H12.11 0.0143 0.3977 0.8656
Leishmania major DNA polymerase kappa, putative 0.0022 0.0272 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.0051 0.1145 0.248
Brugia malayi Tyrosine-protein kinase abl-1 0.0024 0.031 0.066
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0024 0.031 0.0674
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0165 0.4672 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0024 0.031 0.0674
Brugia malayi Variant SH3 domain containing protein 0.002 0.0197 0.0413
Leishmania major DNA polymerase eta, putative 0.0022 0.0272 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0197 0.0413
Echinococcus granulosus insulin receptor 0.0051 0.1145 0.2533
Echinococcus granulosus tyrosine protein kinase Lyn 0.0024 0.0327 0.0711
Loa Loa (eye worm) hypothetical protein 0.0019 0.0153 0.0317
Brugia malayi MH2 domain containing protein 0.0138 0.3839 0.8355
Schistosoma mansoni tyrosine kinase 0.0024 0.031 0.069
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0272 1
Schistosoma mansoni growth factor receptor-bound protein 0.002 0.0197 0.0438
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0024 0.031 0.0674
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0024 0.031 0.0674
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0272 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.002 0.0197 0.0422
Echinococcus granulosus tyrosine protein kinase Fyn 0.0024 0.031 0.0674
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0051 0.1145 0.2533
Schistosoma mansoni adapter molecule crk 0.002 0.0197 0.0438
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0272 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.3977 0.8656
Echinococcus multilocularis NCK adaptor protein 0.002 0.0197 0.0422
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0163 0.4593 1
Schistosoma mansoni tyrosine kinase 0.008 0.2035 0.4527
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0272 0.5
Schistosoma mansoni growth factor receptor-bound protein 0.002 0.0197 0.0438
Echinococcus multilocularis activin receptor type 0.0076 0.1921 0.4263
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0272 0.5
Echinococcus multilocularis TGF beta receptor type 1 0.016 0.4497 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0272 1
Schistosoma mansoni tyrosine kinase 0.008 0.2035 0.4527
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.0072 0.1808 0.401
Schistosoma mansoni tyrosine kinase 0.0024 0.031 0.069
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0024 0.031 0.0674
Brugia malayi hypothetical protein 0.0143 0.3977 0.8656
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0019 0.0161 0.0359
Echinococcus granulosus dna polymerase eta 0.0022 0.0272 0.0588
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.002 0.0197 0.0438
Brugia malayi Sex muscle abnormal protein 5 0.002 0.0197 0.0413
Echinococcus granulosus c src tyrosine kinase 0.0024 0.031 0.0674
Schistosoma mansoni protein kinase 0.012 0.3282 0.7299
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0272 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0024 0.031 0.0674
Schistosoma mansoni nck2/grb4 0.002 0.0197 0.0438
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0024 0.031 0.0674
Onchocerca volvulus 0.0026 0.0398 1
Echinococcus granulosus epidermal growth factor receptor 0.0153 0.4282 0.9523
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0083 0.2149 0.477
Brugia malayi hypothetical protein 0.0019 0.0153 0.0317
Echinococcus granulosus TGF beta receptor type 1 0.016 0.4497 1
Schistosoma mansoni tyrosine kinase 0.0083 0.2149 0.4779
Echinococcus multilocularis aryl hydrocarbon receptor 0.0027 0.0406 0.0887
Loa Loa (eye worm) hypothetical protein 0.0026 0.0398 0.085
Echinococcus granulosus protein kinase 0.012 0.3282 0.7295
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0157 0.4412 0.9811
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0157 0.4412 0.9811
Brugia malayi Variant SH3 domain containing protein 0.002 0.0197 0.0413
Brugia malayi activin receptor:ISOTYPE=IIA. 0.0117 0.3186 0.693
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0051 0.1145 0.2533
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0339 1 1
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0019 0.0153 0.0317
Brugia malayi hypothetical protein 0.0019 0.0161 0.0335
Echinococcus granulosus growth factor receptor bound protein 2 0.002 0.0197 0.0422
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0272 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0272 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 1 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0027 0.0406 0.0887
Schistosoma mansoni tyrosine kinase 0.0051 0.1145 0.2546
Echinococcus multilocularis insulin receptor 0.0051 0.1145 0.2533
Echinococcus granulosus dna polymerase kappa 0.0022 0.0272 0.0588
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0027 0.0406 0.0868
Echinococcus multilocularis dna polymerase eta 0.0022 0.0272 0.0588
Brugia malayi SRC-1 0.0024 0.031 0.066
Brugia malayi hypothetical protein 0.0026 0.0398 0.085
Loa Loa (eye worm) hypothetical protein 0.0019 0.0153 0.0317
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0272 0.0588
Brugia malayi Protein kinase domain containing protein 0.0143 0.3993 0.8692
Loa Loa (eye worm) hypothetical protein 0.0022 0.0272 0.0576
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0272 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0272 1
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.0143 0.3993 0.8692
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0024 0.031 0.0674
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0272 1
Schistosoma mansoni tyrosine kinase 0.0024 0.031 0.069
Echinococcus granulosus tyrosine protein kinase Fyn 0.0024 0.031 0.0674
Schistosoma mansoni tyrosine kinase 0.0083 0.2149 0.4779
Echinococcus multilocularis 0.0046 0.1011 0.2236
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0272 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 1 1
Echinococcus granulosus epidermal growth factor receptor 0.0083 0.2149 0.477
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.3839 0.8355
Echinococcus multilocularis c src tyrosine kinase 0.0024 0.031 0.0674
Echinococcus multilocularis epidermal growth factor receptor 0.0153 0.4282 0.9523
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0024 0.031 0.069
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.3839 0.8355
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0083 0.2149 0.477
Brugia malayi Protein kinase domain containing protein 0.0051 0.1145 0.248
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0019 0.0161 0.0335
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0024 0.031 0.0674
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0143 0.3993 0.8692
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0272 0.0588
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0019 0.0161 0.0335
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 1 1
Schistosoma mansoni tyrosine kinase 0.0051 0.1145 0.2546
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 1 1
Brugia malayi bone morphogenetic protein type 1 receptor 0.0163 0.4593 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0272 1
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0272 0.0576
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0339 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0272 0.0576
Schistosoma mansoni tyrosine kinase 0.0024 0.031 0.069
Loa Loa (eye worm) hypothetical protein 0.0019 0.0153 0.0317
Schistosoma mansoni tyrosine kinase 0.0014 0.0008 0.0017
Echinococcus granulosus activin receptor type 0.0076 0.1921 0.4263
Schistosoma mansoni tyrosine kinase 0.0153 0.4282 0.9524
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0272 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0272 0.0605
Trypanosoma brucei unspecified product 0.0022 0.0272 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0024 0.031 0.0674
Schistosoma mansoni tyrosine kinase 0.008 0.2035 0.4527
Schistosoma mansoni protein kinase 0.016 0.4497 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0024 0.031 0.0674
Loa Loa (eye worm) hypothetical protein 0.0019 0.0153 0.0317
Echinococcus granulosus TGF-beta receptor type-1 0.016 0.4497 1
Echinococcus granulosus NCK adaptor protein 0.002 0.0197 0.0422
Schistosoma mansoni tyrosine kinase 0.0147 0.4109 0.9138
Treponema pallidum fructose-bisphosphate aldolase 0.0339 1 0.5

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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