Detailed information for compound 36833

Basic information

Technical information
  • TDR Targets ID: 36833
  • Name: 6-methyl-N-[3-[methyl-[3-[(6-methylphenazine- 1-carbonyl)amino]propyl]amino]propyl]phenazin e-1-carboxamide
  • MW: 585.698 | Formula: C35H35N7O2
  • H donors: 2 H acceptors: 6 LogP: 5.08 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(CCCNC(=O)c1cccc2c1nc1cccc(c1n2)C)CCCNC(=O)c1cccc2c1nc1cccc(c1n2)C
  • InChi: 1S/C35H35N7O2/c1-22-10-4-14-26-30(22)38-28-16-6-12-24(32(28)40-26)34(43)36-18-8-20-42(3)21-9-19-37-35(44)25-13-7-17-29-33(25)41-27-15-5-11-23(2)31(27)39-29/h4-7,10-17H,8-9,18-21H2,1-3H3,(H,36,43)(H,37,44)
  • InChiKey: ZOXUWIRMMVRDQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methyl-N-[3-[methyl-[3-[[(6-methyl-1-phenazinyl)-oxomethyl]amino]propyl]amino]propyl]-1-phenazinecarboxamide
  • 6-methyl-N-[3-[methyl-[3-[(6-methylphenazin-1-yl)carbonylamino]propyl]amino]propyl]phenazine-1-carboxamide

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 Glutamate receptor ionotropic kainate 2 0.0173 1 1
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0064 0.2218 0.118
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0064 0.2218 0.118
Schistosoma mansoni glutamate receptor NMDA 0.0173 1 1
Schistosoma mansoni glutamate receptor AMPA 0.0173 1 1
Schistosoma mansoni hypothetical protein 0.0064 0.2218 0.2218
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.3033 0.2103
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0173 1 1
Echinococcus multilocularis NMDA receptor 0.0064 0.2218 0.118
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0125 0.657 0.5
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0064 0.2218 0.118
Echinococcus multilocularis nmda type glutamate receptor 0.0064 0.2218 0.118
Echinococcus multilocularis purine nucleoside phosphorylase 0.0125 0.657 0.6112
Echinococcus granulosus glutamate receptor subunit protein glur 0.0064 0.2218 0.118
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.3033 0.2103
Brugia malayi Probable ClpP-like protease 0.0076 0.3033 0.3033
Echinococcus granulosus purine nucleoside phosphorylase 0.0125 0.657 0.6112
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.3033 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.3033 0.5
Echinococcus multilocularis glutamate receptor 2 0.0173 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0125 0.657 0.6112
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0125 0.657 1
Schistosoma mansoni glutamate receptor AMPA 0.0173 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0125 0.657 0.6112
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.3033 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.3033 0.5
Brugia malayi MH2 domain containing protein 0.0116 0.589 0.589
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0173 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.3033 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0064 0.2218 0.118
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0125 0.657 0.5
Echinococcus granulosus glutamate receptor 2 0.0173 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0125 0.657 0.6112
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.589 0.589
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1089 0.1089
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.3033 0.5
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0099 0.4722 0.4018
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0125 0.657 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1089 0.1089
Echinococcus multilocularis glutamate receptor 2 0.0109 0.5429 0.4819
Schistosoma mansoni glutamate receptor kainate 0.0173 1 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0173 1 1
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0064 0.2218 0.118
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.3033 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0125 0.657 0.6112
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.589 0.589
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0173 1 1
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0125 0.657 0.657
Loa Loa (eye worm) glutamate receptor 1 0.0173 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0173 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0099 0.4722 0.4018
Schistosoma mansoni glutamate receptor NMDA 0.0173 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1089 0.1089
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.3033 0.5
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0125 0.657 0.5
Schistosoma mansoni purine nucleoside phosphorylase 0.0125 0.657 0.657
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0173 1 1
Echinococcus multilocularis glutamate receptor 2 0.0173 1 1
Brugia malayi Glutamate receptor 2 precursor 0.0173 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0125 0.657 0.6112
Echinococcus multilocularis purine nucleoside phosphorylase 0.0125 0.657 0.6112
Loa Loa (eye worm) hypothetical protein 0.0076 0.3033 0.3033
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0064 0.2218 0.118
Echinococcus multilocularis purine nucleoside phosphorylase 0.0099 0.4722 0.4018
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0064 0.2218 0.118
Schistosoma mansoni ATP-binding cassette transporter 0.0173 1 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.4722 0.4722
Echinococcus multilocularis purine nucleoside phosphorylase 0.0125 0.657 0.6112
Echinococcus granulosus purine nucleoside phosphorylase 0.0125 0.657 0.6112
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0125 0.657 1
Loa Loa (eye worm) glutamate receptor 2 0.0173 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0125 0.657 0.6112
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0173 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1089 0.1089
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0173 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0125 0.657 0.6112
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0173 1 1
Echinococcus granulosus glutamate receptor 2 0.0109 0.5429 0.4819
Echinococcus granulosus purine nucleoside phosphorylase 0.0125 0.657 0.6112
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0064 0.2218 0.118
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.3033 0.3033
Schistosoma mansoni glutamate receptor kainate 0.0173 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0125 0.657 0.6112
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.3033 0.3442
Schistosoma mansoni glutamate receptor kainate 0.0173 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0125 0.657 0.657

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 235 nM 50% inhibition of cell growth against HT-29 cell line ChEMBL. 10753472
GI50 (functional) = 235 nM 50% inhibition of cell growth against HT-29 cell line ChEMBL. 10753472
GI50 (functional) = 430 nM 50% inhibition of cell growth against CAK1 cell line ChEMBL. 10753472
GI50 (functional) = 430 nM 50% inhibition of cell growth against CAK1 cell line ChEMBL. 10753472
GI50 (functional) = 455 nM 50% inhibition of cell growth against HCT-116 cell line ChEMBL. 10753472
GI50 (functional) = 455 nM 50% inhibition of cell growth against HCT-116 cell line ChEMBL. 10753472
GI50 (functional) = 550 nM 50% inhibition of cell growth against MCF-7 cell line ChEMBL. 10753472
GI50 (functional) = 550 nM 50% inhibition of cell growth against MCF-7 cell line ChEMBL. 10753472
GI50 (functional) = 600 nM The average concentration resulting in inhibition of cell growth to 50% whole cell line panel ChEMBL. 10753472
GI50 (functional) = 2660 nM 50% inhibition of cell growth against NCI/ADRcell line ChEMBL. 10753472
GI50 (functional) = 2660 nM 50% inhibition of cell growth against NCI/ADRcell line ChEMBL. 10753472
GI50 (functional) = 5840 nM 50% inhibition of cell growth against SKOV-3 cell line ChEMBL. 10753472
GI50 (functional) = 5840 nM 50% inhibition of cell growth against SKOV-3 cell line ChEMBL. 10753472
IC50 (functional) = 46 nM Inhibitory activity against Murine Lewis lung carcinoma cells ChEMBL. 10753472
IC50 (functional) = 172 nM Inhibitory activity against wild-type human Jurkat leukemia cells ChEMBL. 10753472
IC50 (functional) = 172 nM Inhibitory activity against wild-type human Jurkat leukemia cells ChEMBL. 10753472
IC50 (functional) = 584 nM Inhibitory activity against Murine P388 leukemia cells ChEMBL. 10753472
IC50 (functional) = 584 nM Inhibitory activity against Murine P388 leukemia cells ChEMBL. 10753472

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 10753472
Homo sapiens ChEMBL23 10753472

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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