Detailed information for compound 915431

Basic information

Technical information
  • TDR Targets ID: 915431
  • Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynap hthalen-1-yl]pyridin-2-yl]-4-pyridin-3-ylphth alazin-1-one
  • MW: 546.573 | Formula: C32H26N4O5
  • H donors: 2 H acceptors: 5 LogP: 3.66 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCc1c(CO)cc2c(c1c1ccnc(c1)n1nc(c3cccnc3)c3c(c1=O)cccc3)cc(c(c2)OC)OC
  • InChi: 1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3
  • InChiKey: ALGYAXVEWGTXDA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one
  • 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-pyridyl]-4-(3-pyridyl)-1-phthalazinone
  • 2-[4-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one
  • 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one

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 steroid hormone receptor ad4bp 0.001 0.0066 0.0255
Toxoplasma gondii GNS1/SUR4 family protein 0.0391 0.4917 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0134
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0066 0.0134
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0426 1
Onchocerca volvulus 0.0079 0.0946 1
Leishmania major fatty acid elongase, putative 0.0079 0.0946 0.163
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0079 0.0946 0.1924
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0066 0.0134
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.0391 0.4917 1
Brugia malayi ecdysteroid receptor 0.001 0.0066 0.0134
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.047 0.1824
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0079 0.0946 0.163
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0066 0.0255
Leishmania major fatty acid elongase, putative 0.0079 0.0946 0.163
Schistosoma mansoni coup transcription factor 0.001 0.0066 0.0255
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.07 0.2716
Trypanosoma cruzi fatty acid elongase, putative 0.0391 0.4917 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0207 0.2577 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0331 0.0331
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0066 0.0134
Echinococcus granulosus elongation of very long chain fatty acids 0.0079 0.0946 0.3672
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0173 0.0173
Brugia malayi hypothetical protein 0.0005 0.0007 0.0014
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.1739 0.1739
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0066 0.0255
Trypanosoma brucei Fatty acid elongase 0.0391 0.4917 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0066 0.0066
Leishmania major fatty acid elongase, putative 0.0079 0.0946 0.163
Schistosoma mansoni hypothetical protein 0.0031 0.0331 0.1285
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0066 0.0255
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0173 0.0671
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0066 0.0134
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0505 0.1026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0505 0.0505
Leishmania major fatty acid elongase, putative 0.0079 0.0946 0.163
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.07 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0426 0.0533
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0066 0.0066
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0066 0.0134
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.07 0.07
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0066 0.0255
Schistosoma mansoni hypothetical protein 0.0031 0.0331 0.1285
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0331 0.0674
Trypanosoma cruzi fatty acid elongase, putative 0.0391 0.4917 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0505 0.0505
Loa Loa (eye worm) hypothetical protein 0.0066 0.0784 0.1594
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0066 0.0255
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0391 0.4917 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0331 0.0674
Schistosoma mansoni elongation of fatty acids protein 1 0.0079 0.0946 0.3672
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0066 0.0134
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0505 0.1958
Leishmania major fatty acid elongase, putative 0.0391 0.4917 1
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0079 0.0946 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0007 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0066 0.0134
Brugia malayi nuclear receptor NHR-88 0.001 0.0066 0.0134
Trypanosoma cruzi fatty acid elongase, putative 0.0391 0.4917 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0946 0.1924
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0066 0.0255
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0207 0.2577 1
Onchocerca volvulus 0.001 0.0066 0.0695
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.07 0.1111
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0066 0.0134
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0066 0.0066
Schistosoma mansoni ap endonuclease 0.0018 0.0173 0.0671
Brugia malayi fatty acid elongation protein 3 0.0079 0.0946 0.1924
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0331 0.1285
Schistosoma mansoni hypothetical protein 0.0031 0.0331 0.1285
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0066 0.0695
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0007 0.0014
Echinococcus granulosus GPCR family 2 0.0031 0.0331 0.1285
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0173 0.5
Trypanosoma cruzi fatty acid elongase, putative 0.0079 0.0946 0.163
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.047 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0066 0.0255
Schistosoma mansoni ap endonuclease 0.0018 0.0173 0.0671
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0007 0.0014
Loa Loa (eye worm) fatty acid elongation protein 3 0.0079 0.0946 0.1924
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0134
Schistosoma mansoni elongation of fatty acids protein 1 0.0079 0.0946 0.3672
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.047 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0173 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0331 0.1285
Brugia malayi fatty acid elongation protein 3 0.0079 0.0946 0.1924
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0426 1
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.1739 0.3537
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.1739 0.6749
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.047 0.0626
Plasmodium falciparum long chain polyunsaturated fatty acid elongation enzyme, putative 0.0079 0.0946 0.163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0066 0.0134
Trypanosoma brucei elongation of very long chain fatty acids protein, putative 0.0079 0.0946 0.163
Loa Loa (eye worm) fatty acid elongation protein 3 0.0079 0.0946 0.1924
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0134
Brugia malayi GNS1/SUR4 family protein 0.0391 0.4917 1
Leishmania major fatty acid elongase, putative 0.0079 0.0946 0.163
Loa Loa (eye worm) hypothetical protein 0.0207 0.2577 0.5241
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0066 0.0134
Schistosoma mansoni thyroid hormone receptor 0.001 0.0066 0.0255
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0079 0.0946 0.163
Onchocerca volvulus 0.0079 0.0946 1
Brugia malayi hypothetical protein 0.0005 0.0007 0.0014
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.07 1
Trypanosoma cruzi fatty acid elongase, putative 0.0079 0.0946 0.163
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0134
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.07 0.1111
Loa Loa (eye worm) hypothetical protein 0.0097 0.1174 0.2387
Loa Loa (eye worm) hypothetical protein 0.0005 0.0007 0.0014
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.1689 0.6553
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0066 0.0255
Plasmodium vivax GNS1/SUR4 domain containing protein 0.0391 0.4917 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0134
Toxoplasma gondii fatty acid elongase 0.0079 0.0946 0.163
Brugia malayi nuclear receptor RXR 0.0005 0.0007 0.0014
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0066 0.0066
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0505 0.1958
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0079 0.0946 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0007 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0066 0.0134
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0134
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0066 0.0255
Brugia malayi nuclear hormone receptor 0.001 0.0066 0.0134
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0066 0.0134
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.1174 0.2387
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0007 0.0014
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0007 0.0027
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0066 0.0134
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0066 0.0134
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.0784 0.1594
Schistosoma mansoni hypothetical protein 0.0031 0.0331 0.1285
Schistosoma mansoni hypothetical protein 0.0066 0.0784 0.3041
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0066 0.0255
Leishmania major fatty acid elongase, putative 0.0079 0.0946 0.163
Trypanosoma brucei Fatty acid elongase 0.0079 0.0946 0.163
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0134
Leishmania major fatty acid elongase, putative 0.0079 0.0946 0.163
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0066 0.0134
Loa Loa (eye worm) acetyltransferase 0.0141 0.1739 0.3537
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0066 0.0255
Echinococcus granulosus hormone sensitive lipase 0.0207 0.2577 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0066 0.0134
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0066 0.0134
Loa Loa (eye worm) ELO-9 protein 0.0079 0.0946 0.1924
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0505 0.1026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0066 0.0134
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.07 1
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0079 0.0946 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0331 0.0331
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0066 0.0134
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0066 0.0134
Echinococcus multilocularis elongation of very long chain fatty acids 0.0079 0.0946 0.0946
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0066 0.0066
Leishmania major fatty acid elongase, putative 0.0391 0.4917 1
Trypanosoma cruzi fatty acid elongase, putative 0.0391 0.4917 1
Echinococcus multilocularis hormone sensitive lipase 0.0207 0.2577 0.2577
Trypanosoma brucei Long chain fatty acyl elongase 0.0079 0.0946 0.163
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0066 0.0066
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0207 0.2577 1
Brugia malayi GNS1/SUR4 family protein 0.0079 0.0946 0.1924
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.1174 0.2387
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0066 0.0255
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0066 0.0134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0505 0.1958
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.07 0.2716
Brugia malayi fatty acid elongation protein 3 0.0079 0.0946 0.1924
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.047 0.0626
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0066 0.0066
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0173 0.0352
Echinococcus multilocularis GPCR, family 2 0.0031 0.0331 0.0331
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0007 0.0027
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0066 0.0066
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0066 0.0695
Leishmania major fatty acid elongase, putative 0.0391 0.4917 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0066 0.0255
Schistosoma mansoni elongation of fatty acids protein 1 0.0079 0.0946 0.3672
Echinococcus granulosus elongation of very long chain fatty acids 0.0079 0.0946 0.3672
Schistosoma mansoni nuclear hormone receptor 0.001 0.0066 0.0255
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0007 0.0007
Brugia malayi Fatty acid elongation protein 3 0.0391 0.4917 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0066 0.0134
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0173 0.0352
Brugia malayi fatty acid elongation protein 3 0.0079 0.0946 0.1924
Schistosoma mansoni elongation of fatty acids protein 1 0.0079 0.0946 0.3672
Loa Loa (eye worm) hypothetical protein 0.001 0.0066 0.0134
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.07 1
Trypanosoma cruzi fatty acid elongase, putative 0.0079 0.0946 0.163
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0066 0.0255
Echinococcus multilocularis elongation of very long chain fatty acids 0.0079 0.0946 0.0946
Trypanosoma brucei Fatty acid elongase 0.0079 0.0946 0.163
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0079 0.0946 0.1924
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0066 0.0134
Schistosoma mansoni fatty acid acyl transferase-related 0.0079 0.0946 0.3672
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.047 0.0626
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0505 0.1958
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0331 0.0674
Trypanosoma cruzi fatty acid elongase, putative 0.0079 0.0946 0.163
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.07 0.2716
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0097 0.1174 0.2387
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.0391 0.4917 1
Leishmania major long chain polyunsaturated fatty acid elongation enzyme-like protein 0.0079 0.0946 0.163
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0505 0.1958
Loa Loa (eye worm) hypothetical protein 0.0005 0.0007 0.0014
Leishmania major fatty acid elongase, putative 0.0079 0.0946 0.163
Trypanosoma cruzi fatty acid elongase, putative 0.0079 0.0946 0.163
Echinococcus granulosus FTZ F1 alpha 0.001 0.0066 0.0255
Leishmania major fatty acid elongase, putative 0.0079 0.0946 0.163
Leishmania major fatty acid elongase, putative 0.0079 0.0946 0.163
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0066 0.0255
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0007 0.0027
Loa Loa (eye worm) hypothetical protein 0.0005 0.0007 0.0014
Loa Loa (eye worm) hypothetical protein 0.0031 0.0331 0.0674
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0066 0.0066
Loa Loa (eye worm) fatty acid elongation protein 3 0.0391 0.4917 1
Trypanosoma cruzi fatty acid elongase, putative 0.0079 0.0946 0.163
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.0391 0.4917 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0066 0.0134
Brugia malayi steroid hormone receptor 0.001 0.0066 0.0134
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0066 0.0695
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0066 0.0255
Schistosoma mansoni thyroid hormone receptor 0.001 0.0066 0.0255
Loa Loa (eye worm) fatty acid elongation protein 3 0.0079 0.0946 0.1924

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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