Detailed information for compound 1651139

Basic information

Technical information
  • TDR Targets ID: 1651139
  • Name: 4-[(2,4-dinitrophenyl)hydrazinylidene]-6-oxo- 6-phenyl-N,N-bis(phenylmethyl)hexanamide
  • MW: 579.603 | Formula: C32H29N5O6
  • H donors: 1 H acceptors: 6 LogP: 6.18 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N(Cc1ccccc1)Cc1ccccc1)CC/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/CC(=O)c1ccccc1
  • InChi: 1S/C32H29N5O6/c38-31(26-14-8-3-9-15-26)20-27(33-34-29-18-17-28(36(40)41)21-30(29)37(42)43)16-19-32(39)35(22-24-10-4-1-5-11-24)23-25-12-6-2-7-13-25/h1-15,17-18,21,34H,16,19-20,22-23H2/b33-27+
  • InChiKey: UTPIQOXIMVEOGG-MUGXBBEHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4E)-4-[(2,4-dinitrophenyl)hydrazinylidene]-6-oxo-6-phenyl-N,N-bis(phenylmethyl)hexanamide
  • (4E)-4-[(2,4-dinitrophenyl)hydrazono]-6-oxo-6-phenyl-N,N-bis(phenylmethyl)hexanamide
  • 4-[(2,4-dinitrophenyl)hydrazono]-6-oxo-6-phenyl-N,N-bis(phenylmethyl)hexanamide
  • (4E)-N,N-bis(benzyl)-4-[(2,4-dinitrophenyl)hydrazono]-6-keto-6-phenyl-hexanamide
  • N,N-bis(benzyl)-4-[(2,4-dinitrophenyl)hydrazono]-6-keto-6-phenyl-hexanamide
  • AIDS-131193
  • AIDS131193
  • N,N-Dibenzyl-4-((2,4-bis(hydroxy(oxido)amino)phenyl)hydrazono)-6-oxo-6-phenylhexanamide
  • NSC622441
  • NCI60_006573

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
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0488 0.19
Loa Loa (eye worm) hypothetical protein 0.0011 0.0199 0.028
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.2568 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.711 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0378 0.0531
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0199 0.028
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0041 0.2568 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0199 0.028
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0199 0.0199
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0199 0.028
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0199 0.028
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0199 0.028
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0199 0.028
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0199 0.028
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.1641 0.639
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0199 0.028
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0199 0.028
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0199 0.028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0199 0.028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0199 0.028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0199 0.028
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.2568 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0199 0.028
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.2568 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0488 0.19
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.711 1
Echinococcus multilocularis cpg binding protein 0.0067 0.4657 0.655
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.2568 0.3611
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0199 0.028
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0071 0.0071
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0199 0.028
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.2568 0.3611
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.2568 0.3611
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0488 0.19
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0199 0.028
Brugia malayi hypothetical protein 0.0029 0.1641 0.2308
Schistosoma mansoni hypothetical protein 0.0013 0.0378 0.0378
Echinococcus granulosus cpg binding protein 0.0067 0.4657 0.655
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0488 0.19
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0378 0.0531
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0199 0.028
Onchocerca volvulus 0.0011 0.0199 0.0455
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0598 0.0841
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0488 0.19
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0199 0.0199
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0199 0.028
Loa Loa (eye worm) hypothetical protein 0.0011 0.0199 0.028
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0488 0.19
Loa Loa (eye worm) hypothetical protein 0.0011 0.0199 0.028
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0598 0.0841
Leishmania major hypothetical protein, conserved 0.0029 0.1641 0.639
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0199 0.028
Brugia malayi steroid hormone receptor 0.0011 0.0199 0.028
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0598 0.0841
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0199 0.0199
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0598 0.0598
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0199 0.028
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.2568 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0199 0.028
Loa Loa (eye worm) hypothetical protein 0.0011 0.0199 0.028
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.2568 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0199 0.028
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0199 0.028
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.711 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0488 0.19
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.1641 0.639
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0199 0.0199
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0199 0.028
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0011 0.0199 0.028
Brugia malayi nuclear receptor NHR-88 0.0011 0.0199 0.028
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0488 0.19
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0488 0.19
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0488 0.19
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.1641 0.639
Brugia malayi CXXC zinc finger family protein 0.0064 0.4371 0.6148
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0598 0.0841
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0199 0.028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.711 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0199 0.028
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0199 0.028
Schistosoma mansoni ap endonuclease 0.0041 0.2568 0.2568
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0199 0.0199
Toxoplasma gondii exonuclease III APE 0.0041 0.2568 0.2897
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0488 0.19
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.711 0.711
Schistosoma mansoni ap endonuclease 0.0041 0.2568 0.2568
Onchocerca volvulus 0.0064 0.4371 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.1641 0.639
Loa Loa (eye worm) histone methyltransferase 0.002 0.0904 0.1271
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0199 0.0455
Loa Loa (eye worm) hypothetical protein 0.0011 0.0199 0.028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0199 0.028
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0199 0.028
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.1641 0.1851
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0199 0.028
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0199 0.028
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0488 0.19
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.711 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.2568 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0488 0.19
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0199 0.028
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0199 0.0199
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.002 0.0904 0.1271
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.2568 0.5
Schistosoma mansoni cpg binding protein 0.0067 0.4657 0.4657
Brugia malayi nuclear hormone receptor 0.0011 0.0199 0.028
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0884 0.1243
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0199 0.0199
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0199 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0199 0.028
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0488 0.19
Toxoplasma gondii histone lysine methyltransferase SET1 0.0121 0.8862 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0199 0.028
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0199 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.711 0.711
Brugia malayi hypothetical protein 0.0019 0.0829 0.1166
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0199 0.0455
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0041 0.2568 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.2568 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0199 0.028
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0488 0.19
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.711 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0488 0.19
Loa Loa (eye worm) CXXC zinc finger family protein 0.0064 0.4371 0.6148
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0199 0.028
Loa Loa (eye worm) hypothetical protein 0.0011 0.0199 0.028
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.2568 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.2568 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0199 0.028
Brugia malayi ecdysteroid receptor 0.0011 0.0199 0.028
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0488 0.19
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0199 0.028
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0199 0.028
Schistosoma mansoni cpg binding protein 0.0064 0.4371 0.4371
Loa Loa (eye worm) hypothetical protein 0.0029 0.1641 0.2308
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0199 0.028
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.1641 0.639
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.002 0.0904 0.1271
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0199 0.0455
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0199 0.0199
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0199 0.028
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.2568 0.3611
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.711 0.711
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.2568 1
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0199 0.0199
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.2568 1
Schistosoma mansoni cpg binding protein 0.0067 0.4657 0.4657
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0199 0.028
Trichomonas vaginalis helicase, putative 0.0014 0.0488 0.19
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.1641 0.639
Schistosoma mansoni coup transcription factor 0.0011 0.0199 0.0199

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.454 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) -4.385 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.268 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
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 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 MALME-3M Melanoma 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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