Detailed information for compound 1084612

Basic information

Technical information
  • TDR Targets ID: 1084612
  • Name: 2,3-dimethylphenazine
  • MW: 208.258 | Formula: C14H12N2
  • H donors: 0 H acceptors: 2 LogP: 2.99 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2nc3ccccc3nc2cc1C
  • InChi: 1S/C14H12N2/c1-9-7-13-14(8-10(9)2)16-12-6-4-3-5-11(12)15-13/h3-8H,1-2H3
  • InChiKey: AXTJIDAKPWEJCR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens NAD(P)H dehydrogenase, quinone 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis NAD(P)H dehydrogenase, putative Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis NAD(P)H dehydrogenase, putative Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis NAD(P)H dehydrogenase, putative Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Giardia lamblia NADPH oxidoreductase, putative Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Giardia lamblia NADPH oxidoreductase, putative Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Giardia lamblia NADPH oxidoreductase, putative Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_130380 All targets in OG5_130380
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trichomonas vaginalis NAD(P)H dehydrogenase, putative NAD(P)H dehydrogenase, quinone 2 231 aa 213 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans hypothetical protein 0.002 0.015 0.5
Entamoeba histolytica iron-sulfur flavoprotein, putative 0.0024 0.034 0.0558
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0096 0.3555 1
Giardia lamblia NADPH oxidoreductase, putative 0.0096 0.3555 1
Giardia lamblia NADPH oxidoreductase, putative 0.0096 0.3555 1
Entamoeba histolytica modulator of drug activity B homolog, putative 0.0024 0.034 0.0558
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0096 0.3541 0.5
Loa Loa (eye worm) hypothetical protein 0.0096 0.3541 0.3541
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.015 0.5
Entamoeba histolytica hypothetical protein 0.0024 0.034 0.0558
Loa Loa (eye worm) transcription factor SMAD2 0.0241 1 1
Echinococcus multilocularis CAAX prenyl protease 2 0.0096 0.3541 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0096 0.3541 0.9668
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0247 0.0247
Mycobacterium ulcerans hypothetical protein 0.002 0.015 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1402 0.1402
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1402 0.3958
Loa Loa (eye worm) hypothetical protein 0.0099 0.3663 0.3663
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1402 0.3827
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1402 0.1402
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Trypanosoma brucei CAAX amino terminal protease, putative 0.0096 0.3541 0.5
Plasmodium vivax protease, putative 0.002 0.015 0.5
Brugia malayi CAAX amino terminal protease family protein 0.0096 0.3541 0.3541
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1402 0.3958
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Plasmodium falciparum protease, putative 0.002 0.015 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 1 1
Toxoplasma gondii hypothetical protein 0.002 0.015 0.5
Echinococcus granulosus CAAX prenyl protease 2 0.0096 0.3541 1
Mycobacterium ulcerans integral membrane protein 0.002 0.015 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1402 0.3958
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Toxoplasma gondii CAAX amino terminal protease family protein 0.002 0.015 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Chlamydia trachomatis hypothetical protein 0.002 0.015 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Mycobacterium tuberculosis Probable integral membrane protein 0.002 0.015 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1402 0.3827
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.3663 0.3663
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.002 0.015 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0099 0.3663 1
Brugia malayi Trypsin family protein 0.0099 0.3663 0.3663
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0096 0.3555 1
Brugia malayi Cytochrome P450 family protein 0.0022 0.0247 0.0247
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1402 0.3958
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1
Toxoplasma gondii hypothetical protein 0.002 0.015 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.2484 0.6669
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1402 0.3827
Entamoeba histolytica CAAX prenyl protease family 0.0096 0.3541 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0096 0.3541 0.9668
Onchocerca volvulus 0.0099 0.3663 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0096 0.3541 0.9959
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0099 0.3663 1
Treponema pallidum hypothetical protein 0.002 0.015 0.5
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0096 0.3541 0.5
Giardia lamblia NADPH oxidoreductase, putative 0.0096 0.3555 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.002 0.015 0.5
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0096 0.3555 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0096 0.3541 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.3555 1

Activities

Activity type Activity value Assay description Source Reference
CD (binding) = 23 uM Induction of quinone reductase-1 activity in mouse Hepa-1c1c7 cells assessed as concentration required to double induction activity after 48 hrs by MTT assay ChEMBL. 21105712
IC50 (binding) = 13.5 uM Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and NMeH as substrate assessed as formazan formation ChEMBL. 21105712
Inhibition (functional) = 49.1 % Inhibition of iNOS in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitrite production at 50 uM treated 30 mins before LPS challenge measured after 24 hrs by Griess method ChEMBL. 21105712
Inhibition (binding) = 90.2 % Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) at 50 uM using MTT and NMeH as substrate assessed as formazan formation ChEMBL. 21105712

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

1 literature reference was collected for this gene.

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