Detailed information for compound 1628034

Basic information

Technical information
  • TDR Targets ID: 1628034
  • Name: N-[3-[[3,4-bis(4-methoxyphenyl)-2,4-dioxobuta noyl]amino]propyl]-3,4-bis(4-methoxyphenyl)-2 ,4-dioxobutanamide
  • MW: 694.726 | Formula: C39H38N2O10
  • H donors: 2 H acceptors: 6 LogP: 5.27 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)C(C(=O)c1ccc(cc1)OC)C(=O)C(=O)NCCCNC(=O)C(=O)C(C(=O)c1ccc(cc1)OC)c1ccc(cc1)OC
  • InChi: 1S/C39H38N2O10/c1-48-28-14-6-24(7-15-28)32(34(42)26-10-18-30(50-3)19-11-26)36(44)38(46)40-22-5-23-41-39(47)37(45)33(25-8-16-29(49-2)17-9-25)35(43)27-12-20-31(51-4)21-13-27/h6-21,32-33H,5,22-23H2,1-4H3,(H,40,46)(H,41,47)
  • InChiKey: QUOYKYHRKCLOKO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[[3,4-bis(4-methoxyphenyl)-2,4-dioxo-butanoyl]amino]propyl]-3,4-bis(4-methoxyphenyl)-2,4-dioxo-butanamide
  • N-[3-[[3,4-bis(4-methoxyphenyl)-1,2,4-trioxobutyl]amino]propyl]-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
  • N-[3-[[2,4-diketo-3,4-bis(4-methoxyphenyl)butanoyl]amino]propyl]-2,4-diketo-3,4-bis(4-methoxyphenyl)butyramide
  • AIDS131274
  • N-(3-((3,4-Bis(4-methoxyphenyl)-2,4-dioxobutanoyl)amino)propyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
  • NSC622975
  • NCI60_006807
  • AIDS-131274

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
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0847 1
Echinococcus multilocularis tar DNA binding protein 0.0056 0.0847 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0314 0.4949
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0044 0.0607 0.0607
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.004 0.0519 1
Loa Loa (eye worm) hypothetical protein 0.0513 1 1
Brugia malayi RNA binding protein 0.0056 0.0847 0.0847
Schistosoma mansoni hypothetical protein 0.003 0.0326 0.3848
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0197 0.2067
Brugia malayi TAR-binding protein 0.0056 0.0847 0.0847
Mycobacterium ulcerans carbohydrate kinase CbhK 0.002 0.0113 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0197 0.2067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0151 0.0932
Schistosoma mansoni ribokinase 0.002 0.0113 0.1339
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.004 0.0519 0.6131
Loa Loa (eye worm) phosphatidylinositol 3 0.004 0.0519 0.0519
Schistosoma mansoni adenosine kinase 0.002 0.0113 0.1339
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0519 1
Loa Loa (eye worm) TAR-binding protein 0.0056 0.0847 0.0847
Trypanosoma brucei adenosine kinase, putative 0.002 0.0113 0.1323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0356 0.5967
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.004 0.0519 1
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0847 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0356 0.5967
Mycobacterium tuberculosis 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) 0.002 0.0113 0.5
Brugia malayi Adenosine kinase-like 0.002 0.0113 0.0113
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0402 0.7118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0193 0.195
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.004 0.0519 0.0519
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0056 0.0847 0.0847
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0044 0.0607 0.0607
Mycobacterium tuberculosis Ribokinase RbsK 0.002 0.0113 0.5
Brugia malayi Ribokinase 0.002 0.0113 0.0113
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0519 1
Mycobacterium ulcerans fructokinase, PfkB 0.002 0.0113 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0113
Trypanosoma cruzi target of rapamycin kinase 3 0.0032 0.0356 0.5983
Mycobacterium leprae Probable adenosine kinase adk 0.002 0.0113 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0326 0.0326
Mycobacterium tuberculosis Adenosine kinase 0.002 0.0113 0.5
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.004 0.0519 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0314 0.4949
Trypanosoma brucei ribokinase, putative 0.002 0.0113 0.1323
Brugia malayi latrophilin 2 splice variant baaae 0.003 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0044 0.0607 0.0607
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0314 0.4949
Brugia malayi RNA recognition motif domain containing protein 0.0056 0.0847 0.0847
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.004 0.0519 0.6131
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0019 0.0098 0.0985
Toxoplasma gondii target of rapamycin (TOR), putative 0.003 0.0314 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0151 0.0932
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0847 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0197 0.2067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0151 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0356 0.5967
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0256 0.351
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0847 1
Echinococcus granulosus ribokinase 0.002 0.0113 0.1339
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0239 0.3084
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0032 0.0356 0.6514
Onchocerca volvulus 0.0513 1 1
Echinococcus granulosus adenosine kinase 0.002 0.0113 0.1339
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0151 0.0932
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0314 0.4949
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0356 0.5967
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.004 0.0519 0.6131
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.004 0.0519 1
Trypanosoma brucei adenosine kinase, putative 0.002 0.0113 0.1323
Giardia lamblia GTOR 0.004 0.0519 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0356 0.5967
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0151 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0151 0.0916
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0314 0.4949
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.004 0.0519 1
Schistosoma mansoni tar DNA-binding protein 0.0056 0.0847 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0044 0.0607 0.0607
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0314 0.4949
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0032 0.0356 0.5983
Echinococcus multilocularis ribokinase 0.002 0.0113 0.1339
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0314 0.4949
Echinococcus multilocularis adenosine kinase 0.002 0.0113 0.1339
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.004 0.0519 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0113 0.0113
Trypanosoma brucei ribokinase, putative 0.002 0.0113 0.1323
Loa Loa (eye worm) RNA binding protein 0.0056 0.0847 0.0847
Echinococcus granulosus pseudouridine metabolizing bifunctional protein 0.002 0.0113 0.1339
Schistosoma mansoni adenosine kinase 0.002 0.0113 0.1339
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.004 0.0519 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0193 0.195
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.004 0.0519 1
Echinococcus multilocularis pseudouridine metabolizing bifunctional protein 0.002 0.0113 0.1339
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0151 0.0932
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0519 1
Echinococcus granulosus tar DNA binding protein 0.0056 0.0847 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 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 HL-60(TB) Leukemia 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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