Detailed information for compound 1293263

Basic information

Technical information
  • TDR Targets ID: 1293263
  • Name: 4,11,11-Trimethyl-8-nitro-3,4-dihydro-2H-1,4- methano-phenazine-1-carboxylic acid
  • MW: 327.335 | Formula: C17H17N3O4
  • H donors: 1 H acceptors: 6 LogP: 2.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc2c(c1)nc1c(n2)C2(C(C1(CC2)C(=O)O)(C)C)C
  • InChi: 1S/C17H17N3O4/c1-15(2)16(3)6-7-17(15,14(21)22)13-12(16)18-10-5-4-9(20(23)24)8-11(10)19-13/h4-5,8H,6-7H2,1-3H3,(H,21,22)
  • InChiKey: HWUDCJQHSCEQFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000778434
  • SMR000415228
  • STOCK4S-19681

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0353 0.1135 0.1135
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.118 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0113 0.0185 0.1297
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0113 0.0185 0.4097
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0113 0.0185 0.1297
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.0086 0.1893
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0422 0.3365
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0113 0.0185 1
Brugia malayi hypothetical protein 0.0075 0.0037 0.0037
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.0086 0.0086
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.0086 0.1893
Brugia malayi Latrophilin receptor protein 2 0.0112 0.0182 0.0182
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0353 0.1135 0.1135
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0113 0.0185 0.4097
Brugia malayi Ets-domain containing protein 0.0087 0.0086 0.0086
Echinococcus granulosus muscleblind protein 0.018 0.0453 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0113 0.0185 0.0185
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0113 0.0185 1
Echinococcus multilocularis muscleblind protein 0.018 0.0453 1
Schistosoma mansoni hypothetical protein 0.0112 0.0182 0.0182
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0113 0.0185 0.1297
Schistosoma mansoni hypothetical protein 0.0112 0.0182 0.0182
Brugia malayi MH2 domain containing protein 0.0741 0.2665 0.2665
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0113 0.0185 0.4097
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0112 0.0182 0.0182
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0113 0.0185 0.1297
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.118 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0112 0.0182 0.4013
Echinococcus multilocularis GPCR, family 2 0.0112 0.0182 0.4013
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0112 0.0182 0.4013
Brugia malayi Fli-1 protein 0.0265 0.0789 0.0789
Loa Loa (eye worm) transcription factor SMAD2 0.0741 0.2665 0.2665
Schistosoma mansoni hypothetical protein 0.0112 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.018 0.0453 0.0453
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.118 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0113 0.0185 0.4097
Loa Loa (eye worm) hypothetical protein 0.0353 0.1135 0.1135
Echinococcus multilocularis muscleblind protein 1 0.018 0.0453 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0422 0.3365
Schistosoma mansoni hypothetical protein 0.0112 0.0182 0.0182
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0113 0.0185 0.4097
Brugia malayi latrophilin 2 splice variant baaae 0.0241 0.0694 0.0694
Loa Loa (eye worm) hypothetical protein 0.0241 0.0694 0.0694
Loa Loa (eye worm) hypothetical protein 0.0112 0.0182 0.0182
Schistosoma mansoni gabp alpha 0.0087 0.0086 0.0086
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0113 0.0185 0.0185
Brugia malayi Isocitrate dehydrogenase 0.0113 0.0185 0.0185
Loa Loa (eye worm) latrophilin receptor protein 2 0.0112 0.0182 0.0182
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0112 0.0182 0.4013
Brugia malayi Ets-domain containing protein 0.0087 0.0086 0.0086
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.0422 0.3365
Loa Loa (eye worm) hypothetical protein 0.018 0.0453 0.0453
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.118 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0499 1
Toxoplasma gondii isocitrate dehydrogenase 0.0113 0.0185 1
Toxoplasma gondii isocitrate dehydrogenase 0.0113 0.0185 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0113 0.0185 0.4097
Schistosoma mansoni ets-related 0.0265 0.0789 0.0789
Loa Loa (eye worm) hypothetical protein 0.0075 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0075 0.0037 0.0037
Loa Loa (eye worm) MH2 domain-containing protein 0.0741 0.2665 0.2665
Brugia malayi Calcitonin receptor-like protein seb-1 0.0353 0.1135 0.1135
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0113 0.0185 0.1297
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0112 0.0182 0.4013
Echinococcus granulosus GPCR family 2 0.0112 0.0182 0.4013
Loa Loa (eye worm) fli-1 protein 0.0265 0.0789 0.0789
Schistosoma mansoni hypothetical protein 0.0241 0.0694 0.0694
Brugia malayi Muscleblind-like protein 0.018 0.0453 0.0453
Brugia malayi isocitrate dehydrogenase 0.0113 0.0185 0.0185

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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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