Detailed information for compound 1799341

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.414 | Formula: C24H20O2
  • H donors: 1 H acceptors: 1 LogP: 6.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(c1c(O)ccc2c1cccc2)c1ccccc1
  • InChi: 1S/C24H20O2/c1-26-20-14-11-19(12-15-20)23(18-8-3-2-4-9-18)24-21-10-6-5-7-17(21)13-16-22(24)25/h2-16,23,25H,1H3
  • InChiKey: NRPYGMADXJBPKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium vivax SET domain protein, putative 0.0029 0.0086 0.0067
Brugia malayi hypothetical protein 0.042 0.2179 0.2179
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0151 0.0741 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.056 0.2932 0.294
Loa Loa (eye worm) hypothetical protein 0.0041 0.0151 0.0151
Mycobacterium ulcerans aldehyde dehydrogenase 0.0178 0.0886 0.0868
Schistosoma mansoni hypothetical protein 0.0024 0.0058 0.0058
Trichomonas vaginalis phosphofructokinase, putative 0.0151 0.0741 0.2476
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0087 0.0395 0.0395
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0041 0.0151 0.0151
Trichomonas vaginalis phosphofructokinase, putative 0.056 0.2932 1
Toxoplasma gondii phosphofructokinase PFKII 0.0151 0.0741 0.0728
Loa Loa (eye worm) thymidylate synthase 0.0882 0.4658 0.4658
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0017 0.002 0.002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0087 0.0395 0.0395
Mycobacterium ulcerans aldehyde dehydrogenase 0.0178 0.0886 0.0868
Schistosoma mansoni lipoxygenase 0.01 0.0464 0.0464
Trichomonas vaginalis set domain proteins, putative 0.0231 0.1168 0.3942
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0023 0.0055 0.0055
Brugia malayi hypothetical protein 0.0024 0.0058 0.0058
Mycobacterium tuberculosis Hypothetical protein 0.042 0.2179 0.2163
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0175 0.0156
Brugia malayi latrophilin 2 splice variant baaae 0.0028 0.0081 0.0081
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1865 0.9926 1
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0058 0.0058
Trichomonas vaginalis phosphofructokinase, putative 0.0151 0.0741 0.2476
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0151 0.0741 0.2476
Echinococcus multilocularis dihydrofolate reductase 0.1879 1 1
Schistosoma mansoni loxhd1 0.0024 0.0058 0.0058
Schistosoma mansoni rab6-interacting 0.0024 0.0058 0.0058
Schistosoma mansoni ap endonuclease 0.0017 0.002 0.002
Brugia malayi Dihydrofolate reductase 0.1879 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0017 0.002 0.002
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0155 0.0762 0.0762
Loa Loa (eye worm) phosphofructokinase 0.056 0.2932 0.2932
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0041 0.0151 0.0151
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0882 0.4658 0.4647
Echinococcus granulosus 6 phosphofructokinase 0.056 0.2932 0.2932
Loa Loa (eye worm) hypothetical protein 0.0023 0.0055 0.0055
Loa Loa (eye worm) acetyltransferase 0.0155 0.0762 0.0762
Brugia malayi hypothetical protein 0.0024 0.0058 0.0058
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1865 0.9926 1
Loa Loa (eye worm) 6-phosphofructokinase 0.056 0.2932 0.2932
Loa Loa (eye worm) intermediate filament protein 0.0023 0.0055 0.0055
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0086 0.0086
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0087 0.0395 0.0395
Mycobacterium ulcerans aldehyde dehydrogenase 0.0178 0.0886 0.0868
Echinococcus multilocularis survival motor neuron protein 1 0.0204 0.1025 0.1025
Onchocerca volvulus 0.0024 0.0058 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.042 0.2179 0.7414
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.056 0.2932 0.2918
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0178 0.0886 0.0886
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0058 0.0058
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0882 0.4658 0.4658
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0087 0.0395 0.0395
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0151 0.0741 0.0728
Brugia malayi Intermediate filament tail domain containing protein 0.0023 0.0055 0.0055
Brugia malayi hypothetical protein 0.0204 0.1025 0.1025
Schistosoma mansoni hypothetical protein 0.0028 0.0081 0.0081
Trichomonas vaginalis phosphofructokinase, putative 0.0151 0.0741 0.2476
Echinococcus multilocularis lamin 0.0023 0.0055 0.0055
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0024 0.0058 0.0058
Mycobacterium ulcerans 6-phosphofructokinase 0.056 0.2932 0.2918
Mycobacterium ulcerans thymidylate synthase 0.0882 0.4658 0.4647
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0154 0.0135
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.056 0.2932 1
Brugia malayi acetyltransferase, GNAT family protein 0.0155 0.0762 0.0762
Brugia malayi Calcitonin receptor-like protein seb-1 0.0041 0.0151 0.0151
Echinococcus granulosus lamin dm0 0.0023 0.0055 0.0055
Trichomonas vaginalis phosphofructokinase, putative 0.056 0.2932 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0151 0.0738 0.0738
Brugia malayi 6-phosphofructokinase 0.056 0.2932 0.2932
Loa Loa (eye worm) hypothetical protein 0.0029 0.0086 0.0086
Echinococcus granulosus dihydrofolate reductase 0.1879 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.042 0.2179 0.2179
Entamoeba histolytica phosphofructokinase, putative 0.056 0.2932 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0087 0.0395 0.0395
Schistosoma mansoni aldehyde dehydrogenase 0.0178 0.0886 0.0886
Loa Loa (eye worm) dihydrofolate reductase 0.1879 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0081 0.0081
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0151 0.0741 0.2476
Schistosoma mansoni polycystin 1-related 0.0024 0.0058 0.0058
Echinococcus multilocularis 6 phosphofructokinase 0.056 0.2932 0.2932
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0175 0.0531
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.008 0.008
Echinococcus granulosus geminin 0.0146 0.0715 0.0715
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0175 0.0156
Brugia malayi Pre-SET motif family protein 0.0029 0.0086 0.0086
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.056 0.2932 0.294
Entamoeba histolytica phosphofructokinase, putative 0.056 0.2932 1
Echinococcus granulosus lamin 0.0023 0.0055 0.0055
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0042 0.0154 0.0154
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0017 0.002 0.5
Echinococcus multilocularis geminin 0.0146 0.0715 0.0715
Schistosoma mansoni lamin 0.0023 0.0055 0.0055
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.1879 1 1
Echinococcus multilocularis musashi 0.0023 0.0055 0.0055
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0175 0.0531
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0151 0.0741 0.0728
Onchocerca volvulus 0.0231 0.1168 0.2418
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1865 0.9926 1
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0154 0.186
Schistosoma mansoni hypothetical protein 0.0042 0.0154 0.0154
Brugia malayi 6-phosphofructokinase 0.056 0.2932 0.2932
Brugia malayi exodeoxyribonuclease III family protein 0.0017 0.002 0.002
Schistosoma mansoni rab6-interacting 0.0024 0.0058 0.0058
Brugia malayi intermediate filament protein 0.0023 0.0055 0.0055
Trichomonas vaginalis phosphofructokinase, putative 0.0151 0.0741 0.2476
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0086 0.0086
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0178 0.0886 0.0874
Trichomonas vaginalis phosphofructokinase, putative 0.056 0.2932 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0053 0.0053
Loa Loa (eye worm) 6-phosphofructokinase 0.056 0.2932 0.2932
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.0693 0.0693
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0058 0.0058
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0086 0.0086
Onchocerca volvulus 0.0024 0.0058 0.0006
Echinococcus granulosus RUN 0.0024 0.0058 0.0058
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0882 0.4658 0.2441
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0017 0.002 0.002
Trichomonas vaginalis phosphofructokinase, putative 0.0151 0.0741 0.2476
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.1018 0.1018
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0175 0.0156
Trichomonas vaginalis phosphofructokinase, putative 0.0151 0.0741 0.2476
Onchocerca volvulus 0.0042 0.0154 0.0214
Plasmodium vivax 6-phosphofructokinase, putative 0.0151 0.0741 0.0728
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0175 0.0175
Schistosoma mansoni aldehyde dehydrogenase 0.0178 0.0886 0.0886
Schistosoma mansoni hypothetical protein 0.0146 0.0715 0.0715
Schistosoma mansoni 6-phosphofructokinase 0.056 0.2932 0.2932
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0058 0.0058
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0086 0.0086
Brugia malayi phosphofructokinase 0.056 0.2932 0.2932
Toxoplasma gondii aldehyde dehydrogenase 0.0178 0.0886 0.0874
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1865 0.9926 1
Echinococcus multilocularis thymidylate synthase 0.0882 0.4658 0.4658
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0155 0.0762 0.0762
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0058 0.0058
Echinococcus granulosus survival motor neuron protein 1 0.0204 0.1025 0.1025
Echinococcus granulosus intermediate filament protein 0.0023 0.0055 0.0055
Schistosoma mansoni ap endonuclease 0.0017 0.002 0.002
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0058 0.0038
Leishmania major ATP-dependent phosphofructokinase 0.056 0.2932 0.294
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0087 0.0395 0.0395
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1865 0.9926 1
Entamoeba histolytica phosphofructokinase, putative 0.056 0.2932 1
Trichomonas vaginalis phosphofructokinase, putative 0.056 0.2932 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0087 0.0395 0.0395
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0151 0.0741 0.2476
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0178 0.0886 0.0868
Chlamydia trachomatis dihydrofolate reductase 0.1879 1 1
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0151 0.0741 0.0728
Brugia malayi Doublecortin family protein 0.0024 0.0058 0.0058
Schistosoma mansoni lamin 0.0023 0.0055 0.0055
Echinococcus granulosus thymidylate synthase 0.0882 0.4658 0.4658
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0086 0.0067
Brugia malayi thymidylate synthase 0.0882 0.4658 0.4658
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0058 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0087 0.0395 0.0395
Echinococcus multilocularis lamin dm0 0.0023 0.0055 0.0055
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.0693 0.0693
Echinococcus multilocularis RUN 0.0024 0.0058 0.0058
Schistosoma mansoni lipoxygenase 0.0142 0.0693 0.0693
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0154 0.0461
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.1879 1 1
Schistosoma mansoni intermediate filament proteins 0.0023 0.0055 0.0055
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0086 0.0086
Onchocerca volvulus 0.0029 0.0086 0.0068
Loa Loa (eye worm) hypothetical protein 0.0204 0.1025 0.1025
Schistosoma mansoni survival motor neuron protein 0.0042 0.0154 0.0154
Schistosoma mansoni dihydrofolate reductase 0.1879 1 1
Schistosoma mansoni hypothetical protein 0.0146 0.0715 0.0715
Schistosoma mansoni 6-phosphofructokinase 0.056 0.2932 0.2932
Plasmodium vivax 6-phosphofructokinase, putative 0.0151 0.0741 0.0728
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1865 0.9926 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.1879 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0086 0.0086
Toxoplasma gondii 6-phosphofructokinase 0.0151 0.0741 0.0728
Loa Loa (eye worm) hypothetical protein 0.0024 0.0058 0.0058
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0178 0.0886 0.0886
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0086 0.0086
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0058 0.0058
Brugia malayi Pre-SET motif family protein 0.0203 0.1018 0.1018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0087 0.0395 0.0395
Onchocerca volvulus 0.0882 0.4658 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.3 uM Cytotoxicity against Homo sapiens (human) HeLa cells after 48 hr by MTT assay ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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