Detailed information for compound 1608377

Basic information

Technical information
  • TDR Targets ID: 1608377
  • Name: N-(3-acetylphenyl)-4-hydrazinyl-2,4-dioxo-3-p henylbutanamide
  • MW: 339.345 | Formula: C18H17N3O4
  • H donors: 3 H acceptors: 4 LogP: 1.06 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)C(C(=O)C(=O)Nc1cccc(c1)C(=O)C)c1ccccc1
  • InChi: 1S/C18H17N3O4/c1-11(22)13-8-5-9-14(10-13)20-18(25)16(23)15(17(24)21-19)12-6-3-2-4-7-12/h2-10,15H,19H2,1H3,(H,20,25)(H,21,24)
  • InChiKey: YUWYMRDWXUCODA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-acetylphenyl)-4-hydrazino-2,4-dioxo-3-phenyl-butanamide
  • N-(3-Acetylphenyl)-4-hydrazino-2,4-dioxo-3-phenylbutanamide
  • N-(3-acetylphenyl)-4-hydrazino-2,4-diketo-3-phenyl-butyramide
  • N-(3-ethanoylphenyl)-4-hydrazinyl-2,4-dioxo-3-phenyl-butanamide
  • AIDS-137337
  • AIDS137337
  • NSC641254
  • NCI60_013913

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 granulosus tumor protein p63 0.0339 0.1899 0.1906
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0054 0.3066
Echinococcus granulosus tar DNA binding protein 0.0064 0.0284 0.0285
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0054 0.3078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0069 0.3945
Schistosoma mansoni microtubule-associated protein tau 0.0693 0.397 0.397
Echinococcus granulosus microtubule associated protein 2 0.0693 0.397 0.3985
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0514 0.2921 0.2931
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0284 0.0284
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0108 0.6145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0054 0.3078
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.0176 0.025
Echinococcus granulosus serine:threonine protein kinase mig 15 0.1716 0.9964 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0108 0.6145
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0284 0.0284
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0508 0.2884 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0176 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0122 0.6922
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.0176 0.0609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0122 0.6922
Loa Loa (eye worm) hypothetical protein 0.0508 0.2884 0.2895
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0514 0.2921 0.2931
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.0176 0.0176
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0514 0.2921 0.2931
Toxoplasma gondii target of rapamycin (TOR), putative 0.0034 0.0108 0.5
Onchocerca volvulus 0.0508 0.2884 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0036 0.0126
Echinococcus multilocularis tumor protein p63 0.0339 0.1899 0.2702
Brugia malayi hypothetical protein 0.0508 0.2884 0.2884
Schistosoma mansoni serine/threonine protein kinase 0.0514 0.2921 0.2921
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0068 0.3855
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0508 0.2884 0.2884
Echinococcus multilocularis microtubule associated protein 2 0.0693 0.397 0.565
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0068 0.3855
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.0176 0.5
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0508 0.2884 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0108 0.6145
Echinococcus granulosus Vam6:Vps39 protein 0.0508 0.2884 0.2895
Brugia malayi Protein kinase domain containing protein 0.0514 0.2921 0.2921
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0122 0.6922
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0508 0.2884 0.2884
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0202 0.0202
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0176 0.0176
Loa Loa (eye worm) hypothetical protein 0.1716 0.9964 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0284 0.0404
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0284 0.0285
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0122 0.6922
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.0122 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0176 1
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0514 0.2921 0.2931
Schistosoma mansoni protein kinase 0.1215 0.7027 0.7027
Loa Loa (eye worm) hypothetical protein 0.0508 0.2884 0.2895
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0508 0.2884 0.2895
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0176 0.0176
Brugia malayi MH2 domain containing protein 0.012 0.0614 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0054 0.3066
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0508 0.2884 0.4104
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0089 0.5047
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0284 0.0285
Brugia malayi RNA binding protein 0.0064 0.0284 0.0284
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0514 0.2921 0.4156
Schistosoma mansoni protein kinase 0.0514 0.2921 0.2921
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0122 0.0422
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0021 0.0073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0054 0.3078
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0284 0.0284
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.0176 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0108 0.6145
Schistosoma mansoni rap gtpase-activating protein 0.0508 0.2884 0.2884
Brugia malayi Temporarily assigned gene name protein 59 0.0508 0.2884 0.2884
Schistosoma mansoni vam6/vps39 related 0.0508 0.2884 0.2884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0122 0.6922
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.0176 0.0176
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0284 0.0284
Giardia lamblia GTOR 0.0045 0.0176 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0137 0.78
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.0176 0.0609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0069 0.3945
Schistosoma mansoni serine/threonine protein kinase 0.0514 0.2921 0.2921
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0284 0.0284
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.0176 0.5
Brugia malayi TAR-binding protein 0.0064 0.0284 0.0284
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0614 0.0616
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0514 0.2921 0.4156
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.0176 0.0609
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.0176 0.0609
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0108 0.6145
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0508 0.2884 1
Loa Loa (eye worm) RNA binding protein 0.0064 0.0284 0.0285
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0176 1
Echinococcus multilocularis 0.1215 0.7027 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0614 0.0616
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0054 0.3066
Echinococcus granulosus protein kinase 0.1215 0.7027 0.7053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0069 0.3945
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.0122 0.0422
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0108 0.6145
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0514 0.2921 0.4156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0054 0.3078
Loa Loa (eye worm) hypothetical protein 0.005 0.0202 0.0203
Schistosoma mansoni protein kinase 0.1722 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0108 0.6145
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.1215 0.7027 0.7053
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0508 0.2884 0.2895
Schistosoma mansoni hypothetical protein 0.0508 0.2884 0.2884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0083 0.4722
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.0176 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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