Detailed information for compound 554214

Basic information

Technical information
  • TDR Targets ID: 554214
  • Name: 2,3-naphthalocyanine
  • MW: 714.774 | Formula: C48H26N8
  • H donors: 1 H acceptors: 0 LogP: 9.08 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 2
  • SMILES: c1ccc2c(c1)cc1c(c2)C2=NC1N=C1N=C(c3c1cc1ccccc1c3)/N=C\1/N=C(NC3=N/C(=N\2)/c2cc4ccccc4cc32)c2c1cc1c(c2)cccc1
  • InChi: 1S/C48H26N8/c1-2-10-26-18-34-33(17-25(26)9-1)41-49-42(34)54-44-37-21-29-13-5-6-14-30(29)22-38(37)46(51-44)56-48-40-24-32-16-8-7-15-31(32)23-39(40)47(52-48)55-45-36-20-28-12-4-3-11-27(28)19-35(36)43(50-45)53-41/h1-24,41H,(H,49,50,51,52,53,54,55,56)
  • InChiKey: FLKOPCAWDAEBCX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 23627-89-6
  • 73758-79-9
  • Si(IV)-Naphthalocyanine
  • 37H,39H-Tetranaphtho(2,3-b:2',3'-g:2'',3''-l:2''',3'''-q)porphyrazine

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 photoreceptor-specific nuclear receptor related 0.0024 0.0207 0.102
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0038 0.0461 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0207 0.4487
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.089 1
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.089 0.0449
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0207 0.102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0207 0.4487
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0207 0.102
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0207 0.4487
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0207 0.102
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0559 1 1
Brugia malayi nuclear hormone receptor 0.0024 0.0207 0.4487
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0207 0.4487
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0207 0.4487
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0207 0.4487
Loa Loa (eye worm) hypothetical protein 0.0024 0.0207 0.4487
Loa Loa (eye worm) hypothetical protein 0.0024 0.0207 0.4487
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.089 0.0449
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0207 0.1152
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0559 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0207 0.4487
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.089 0.4388
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0559 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0207 0.102
Onchocerca volvulus 0.0038 0.0461 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0111 0.1796 1
Schistosoma mansoni dihydropteridine reductase 0.0038 0.0461 0.2274
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0038 0.0461 0.2274
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0207 0.4487
Loa Loa (eye worm) hypothetical protein 0.0024 0.0207 0.4487
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0207 0.102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0207 0.4487
Schistosoma mansoni retinoic acid receptor RXR 0.0124 0.2028 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0559 1 1
Trypanosoma brucei oxidoreductase-like protein 0.0038 0.0461 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0207 0.1152
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0207 0.4487
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0207 0.4487
Loa Loa (eye worm) hypothetical protein 0.0024 0.0207 0.4487
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0207 0.1152
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.089 0.4388
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.089 0.0449
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0038 0.0461 0.2274
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0207 0.4487
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0207 0.4487
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0207 0.4487
Loa Loa (eye worm) retinol dehydrogenase 12 0.0038 0.0461 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0207 0.4487
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.0207 0.1152
Brugia malayi steroid hormone receptor 0.0024 0.0207 0.4487
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0207 0.1152
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0207 0.102
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0038 0.0461 0.2568
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0207 0.102
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0038 0.0461 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.089 0.4954
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0038 0.0461 0.5
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0559 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0207 0.4487
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0038 0.0461 1
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.089 0.4388
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0207 0.1152
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0207 0.1152
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0207 0.102
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0207 0.4487
Brugia malayi nuclear receptor NHR-88 0.0024 0.0207 0.4487
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0559 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0461 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0124 0.2028 1
Trichomonas vaginalis hypothetical protein 0.0559 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0207 0.4487
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0038 0.0461 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0207 0.4487
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0207 0.102
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0207 0.4487
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0207 0.4487
Onchocerca volvulus 0.0038 0.0461 1
Brugia malayi ecdysteroid receptor 0.0024 0.0207 0.4487
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0207 0.102
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0207 0.4487
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0207 0.102
Loa Loa (eye worm) hypothetical protein 0.0024 0.0207 0.4487
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0207 0.4487
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0207 0.4487
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0207 0.102
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.089 0.0449
Loa Loa (eye worm) hypothetical protein 0.0024 0.0207 0.4487
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0038 0.0461 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0207 0.1152
Plasmodium falciparum enoyl-acyl carrier reductase 0.0559 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0207 0.4487
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0207 0.102
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0207 0.102
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0038 0.0461 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0207 0.4487
Trypanosoma brucei pteridine reductase 1 0.0038 0.0461 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0207 0.102
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0207 0.1152
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0207 0.102
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0207 0.102
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.089 0.0449
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0207 0.102
Loa Loa (eye worm) oxidoreductase 0.0038 0.0461 1
Schistosoma mansoni coup transcription factor 0.0024 0.0207 0.102
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0038 0.0461 1

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.

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