Detailed information for compound 1175333

Basic information

Technical information
  • TDR Targets ID: 1175333
  • Name: 2-methyl-3-(3-methyl-1,4-dioxonaphthalen-2-yl )naphthalene-1,4-dione
  • MW: 342.344 | Formula: C22H14O4
  • H donors: 0 H acceptors: 4 LogP: 3.37 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=C(C2=C(C)C(=O)c3c(C2=O)cccc3)C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C22H14O4/c1-11-17(21(25)15-9-5-3-7-13(15)19(11)23)18-12(2)20(24)14-8-4-6-10-16(14)22(18)26/h3-10H,1-2H3
  • InChiKey: RFRKMASEXOLDTH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-3-(3-methyl-1,4-dioxo-2-naphthyl)naphthalene-1,4-dione
  • 2-(1,4-diketo-3-methyl-2-naphthyl)-3-methyl-1,4-naphthoquinone
  • 2-methyl-3-(3-methyl-1,4-dioxo-naphthalen-2-yl)naphthalene-1,4-dione

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 intermediate filament proteins 0.0091 0.4681 0.8672
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Brugia malayi hypothetical protein 0.0057 0.2351 0.2081
Loa Loa (eye worm) hypothetical protein 0.0044 0.1477 0.1176
Loa Loa (eye worm) hypothetical protein 0.0169 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.5398 0.5294
Schistosoma mansoni hypothetical protein 0.0035 0.0871 0.1614
Loa Loa (eye worm) hypothetical protein 0.0091 0.4681 0.4493
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.2351 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.4567 0.4376
Echinococcus multilocularis methionine synthase reductase 0.0027 0.0341 0.0123
Chlamydia trachomatis sulfite reductase 0.0027 0.0341 0.5
Echinococcus granulosus methionine synthase reductase 0.0027 0.0341 0.0123
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0044 0.1489 0.1296
Plasmodium vivax ataxin-2 like protein, putative 0.0057 0.2351 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0057 0.2351 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.5398 0.5235
Schistosoma mansoni hypothetical protein 0.0075 0.3636 0.6736
Echinococcus granulosus muscleblind protein 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1364 0.1059
Echinococcus granulosus lamin dm0 0.0091 0.4681 0.4561
Onchocerca volvulus 0.0091 0.4681 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0871 0.0665
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.5398 0.5235
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0871 0.0549
Trichomonas vaginalis sulfite reductase, putative 0.0044 0.1489 1
Brugia malayi intermediate filament protein 0.0091 0.4681 0.4493
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.5398 0.5294
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0871 0.0665
Echinococcus granulosus intermediate filament protein 0.0091 0.4681 0.4561
Schistosoma mansoni hypothetical protein 0.0025 0.0221 0.0409
Loa Loa (eye worm) hypothetical protein 0.011 0.6018 0.5878
Trypanosoma brucei PAB1-binding protein , putative 0.0057 0.2351 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0044 0.1477 0.1284
Schistosoma mansoni hypothetical protein 0.0035 0.0871 0.1614
Schistosoma mansoni cytochrome P450 reductase 0.0044 0.1489 0.2758
Brugia malayi FAD binding domain containing protein 0.0044 0.1489 0.1188
Brugia malayi cytoplasmic intermediate filament protein 0.0049 0.1806 0.1516
Leishmania major p450 reductase, putative 0.0044 0.1489 0.2834
Onchocerca volvulus 0.0091 0.4681 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.5398 0.5294
Echinococcus multilocularis muscleblind protein 1 0.0169 1 1
Echinococcus multilocularis lamin dm0 0.0091 0.4681 0.4561
Echinococcus granulosus lamin 0.0091 0.4681 0.4561
Echinococcus multilocularis GPCR, family 2 0.0035 0.0871 0.0665
Leishmania major hypothetical protein, conserved 0.0057 0.2351 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0049 0.1806 0.1516
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0027 0.0341 0.0632
Toxoplasma gondii LsmAD domain-containing protein 0.0057 0.2351 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.6018 0.5878
Plasmodium falciparum ataxin-2 like protein, putative 0.0057 0.2351 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.5398 0.5294
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0871 0.0549
Schistosoma mansoni lamin 0.0091 0.4681 0.8672
Echinococcus multilocularis musashi 0.0091 0.4681 0.4561
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0871 0.0665
Schistosoma mansoni hypothetical protein 0.0035 0.0871 0.1614
Schistosoma mansoni lamin 0.0091 0.4681 0.8672
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0091 0.4681 0.4493
Loa Loa (eye worm) FAD binding domain-containing protein 0.0044 0.1489 0.1188
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0044 0.1489 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.5398 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.1364 0.1059
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.6018 0.5878
Brugia malayi hypothetical protein 0.0037 0.0982 0.0664
Plasmodium falciparum ataxin-2 like protein, putative 0.0057 0.2351 1
Echinococcus multilocularis lamin 0.0091 0.4681 0.4561
Brugia malayi flavodoxin family protein 0.0044 0.1489 0.1188
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.3636 0.3411
Schistosoma mansoni hypothetical protein 0.0035 0.0871 0.1614
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0871 0.0549
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0044 0.1489 0.1296
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0044 0.1489 0.1296
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.6018 0.5878
Echinococcus multilocularis muscleblind protein 0.0169 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0044 0.1489 0.2834
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0871 0.0665
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0044 0.1489 0.2834
Loa Loa (eye worm) hypothetical protein 0.0035 0.0871 0.0549
Giardia lamblia Nitric oxide synthase, inducible 0.0039 0.1148 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.5398 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1489 0.1188
Echinococcus granulosus GPCR family 2 0.0035 0.0871 0.0665
Loa Loa (eye worm) hypothetical protein 0.0057 0.2351 0.2081
Giardia lamblia Hypothetical protein 0.0039 0.1148 0.5
Loa Loa (eye worm) intermediate filament protein 0.0091 0.4681 0.4493
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.5398 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.3636 0.3411
Brugia malayi Intermediate filament tail domain containing protein 0.0091 0.4681 0.4493
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0044 0.1477 0.1284
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0044 0.1489 0.1296

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.