Detailed information for compound 727687

Basic information

Technical information
  • TDR Targets ID: 727687
  • Name: CBDivE_009141
  • MW: 486.516 | Formula: C28H26N2O6
  • H donors: 2 H acceptors: 6 LogP: 0.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCc1ccc(cc1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C(=O)N(C2=O)c1ccc(cc1)CCO
  • InChi: 1S/C28H26N2O6/c31-13-11-15-1-5-17(6-2-15)29-25(33)21-19-9-10-20(22(21)26(29)34)24-23(19)27(35)30(28(24)36)18-7-3-16(4-8-18)12-14-32/h1-10,19-24,31-32H,11-14H2
  • InChiKey: XNOYNMLCVHVXGU-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
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0501 0.315 0.315
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.013 0.0471 0.0172
Trypanosoma brucei beta lactamase 0.0137 0.0521 0.0225
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.315 0.2933
Echinococcus granulosus hexokinase 0.1426 0.9825 1
Schistosoma mansoni serine/threonine protein kinase 0.0501 0.315 0.315
Onchocerca volvulus 0.0895 0.599 0.5971
Plasmodium vivax hexokinase, putative 0.1426 0.9825 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0501 0.315 0.2987
Brugia malayi Hexokinase family protein 0.1426 0.9825 0.9825
Schistosoma mansoni hypothetical protein 0.0076 0.0079 0.0079
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.1028 0.6947 0.6977
Entamoeba histolytica serine/threonine protein kinase, putative 0.0501 0.315 0.3151
Trichomonas vaginalis Citrate lyase beta chain, putative 0.013 0.0471 0.0169
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.315 0.2933
Echinococcus multilocularis caspase 0.0401 0.2427 0.2471
Loa Loa (eye worm) hexokinase 0.1426 0.9825 0.9825
Schistosoma mansoni caspase-7 (C14 family) 0.0107 0.0307 0.0307
Echinococcus multilocularis caspase 2 0.0107 0.0307 0.0312
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.1072 0.7265 0.7311
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.315 0.2933
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.1028 0.6947 0.6947
Schistosoma mansoni hexokinase 0.1426 0.9825 0.9825
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.013 0.0471 0.0172
Trichomonas vaginalis glutaminase, putative 0.1451 1 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0356 0.2105 1
Leishmania major hexokinase, putative 0.1426 0.9825 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0501 0.315 0.2987
Onchocerca volvulus Hexokinase homolog 0.0895 0.599 0.5971
Onchocerca volvulus 0.1426 0.9825 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.1028 0.6947 0.6977
Loa Loa (eye worm) glutaminase 2 0.1451 1 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0107 0.0307 0.0307
Schistosoma mansoni caspase-3 (C14 family) 0.0401 0.2427 0.2427
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.0079 0.008
Schistosoma mansoni glutaminase 0.1451 1 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.034 0.199 0.1768
Loa Loa (eye worm) hypothetical protein 0.0107 0.0307 0.0307
Mycobacterium ulcerans lipoprotein LpqF 0.0137 0.0521 0.0053
Loa Loa (eye worm) hexokinase 0.1426 0.9825 0.9825
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.0079 0.0079
Loa Loa (eye worm) hexokinase 0.0895 0.599 0.599
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.0079 0.008
Loa Loa (eye worm) hypothetical protein 0.0453 0.2805 0.2805
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0671 0.4375 0.4274
Trypanosoma cruzi hypothetical protein, conserved 0.1129 0.7679 0.7745
Brugia malayi Hexokinase family protein 0.0441 0.2718 0.2718
Brugia malayi hexokinase 0.1426 0.9825 0.9825
Echinococcus granulosus hexokinase 0.1426 0.9825 1
Echinococcus multilocularis hexokinase 0.1426 0.9825 1
Onchocerca volvulus 0.1426 0.9825 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1072 0.7265 0.7179
Entamoeba histolytica hexokinase 2 0.1426 0.9825 1
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0137 0.0521 0.0308
Brugia malayi glucose-6-phosphate dehydrogenase 0.1028 0.6947 0.6947
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0331 0.1919 0.1693
Trypanosoma cruzi hexokinase, putative 0.1426 0.9825 1
Schistosoma mansoni kinase 0.0255 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0453 0.2805 0.2805
Loa Loa (eye worm) hexokinase type II 0.1426 0.9825 0.9825
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0401 0.2427 0.2471
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0137 0.0521 0.5
Mycobacterium ulcerans glutaminase 0.1451 1 1
Brugia malayi Hexokinase family protein 0.0895 0.599 0.599
Brugia malayi Cell death protein 3 precursor 0.0107 0.0307 0.0307
Trypanosoma brucei hexokinase 0.1426 0.9825 1
Echinococcus multilocularis hexokinase 0.1426 0.9825 1
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.315 0.2933
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.315 0.2933
Leishmania major hypothetical protein, conserved 0.1129 0.7679 0.7745
Trypanosoma cruzi hexokinase, putative 0.1426 0.9825 1
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.315 0.2933
Trypanosoma cruzi polo-like protein kinase, putative 0.0501 0.315 0.2987
Loa Loa (eye worm) glutaminase 0.1451 1 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.1072 0.7265 0.7311
Brugia malayi serine/threonine-protein kinase plk-2 0.0501 0.315 0.315
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.1028 0.6947 0.6977
Loa Loa (eye worm) transcription factor SMAD2 0.0511 0.3217 0.3217
Loa Loa (eye worm) hypothetical protein 0.0973 0.6553 0.6553
Entamoeba histolytica hexokinase 1 0.1426 0.9825 1
Trypanosoma brucei hypothetical protein, conserved 0.1129 0.7679 0.7745
Echinococcus multilocularis caspase 3 0.0294 0.1653 0.1683
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0671 0.4375 0.4097
Echinococcus granulosus caspase 3 0.0294 0.1653 0.1683
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.1028 0.6947 0.6947
Plasmodium falciparum hexokinase 0.1426 0.9825 1
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0285 0.1592 0.6861
Brugia malayi MH2 domain containing protein 0.0511 0.3217 0.3217
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0501 0.315 0.3206
Echinococcus multilocularis caspase 8 0.0107 0.0307 0.0312
Trichomonas vaginalis CAMK family protein kinase 0.0248 0.1323 0.1049
Trypanosoma brucei hexokinase 0.1426 0.9825 1
Schistosoma mansoni caspase-7 (C14 family) 0.0401 0.2427 0.2427
Echinococcus granulosus caspase 2 0.0107 0.0307 0.0312
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.1072 0.7265 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.1028 0.6947 0.7071
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0501 0.315 0.2987
Echinococcus granulosus hexokinase 0.1426 0.9825 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.1028 0.6947 0.7071
Echinococcus multilocularis citrate lyase subunit beta protein 0.013 0.0471 0.0479
Brugia malayi hexokinase type II 0.0453 0.2805 0.2805
Trypanosoma brucei hexokinase, putative 0.1426 0.9825 1
Echinococcus granulosus caspase 0.0401 0.2427 0.2471
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.1072 0.7265 0.7179
Echinococcus granulosus caspase 8 0.0107 0.0307 0.0312
Trypanosoma cruzi hypothetical protein, conserved 0.1129 0.7679 0.7745
Echinococcus granulosus citrate lyase subunit beta protein 0.013 0.0471 0.0479
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1072 0.7265 0.7179
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.013 0.0471 0.0172
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0401 0.2427 0.2471
Echinococcus multilocularis hexokinase type 2 0.1426 0.9825 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.0307 0.0307
Toxoplasma gondii hexokinase 0.1426 0.9825 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0501 0.315 0.3206
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.1028 0.6947 0.6797
Trichomonas vaginalis CAMK family protein kinase 0.0501 0.315 0.2933
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0285 0.1592 0.1177
Treponema pallidum hexokinase (hxk) 0.1426 0.9825 1
Trichomonas vaginalis CAMK family protein kinase 0.0248 0.1323 0.1049
Loa Loa (eye worm) MH2 domain-containing protein 0.0511 0.3217 0.3217
Onchocerca volvulus 0.1426 0.9825 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.1072 0.7265 0.7311
Loa Loa (eye worm) hexokinase 0.0441 0.2718 0.2718
Brugia malayi hypothetical protein 0.0076 0.0079 0.0079
Echinococcus granulosus hexokinase type 2 0.1426 0.9825 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.1028 0.6947 0.5
Echinococcus multilocularis hexokinase 0.1426 0.9825 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0107 0.0307 0.0307
Trypanosoma brucei polo-like protein kinase 0.0501 0.315 0.2987
Leishmania major hexokinase, putative 0.1426 0.9825 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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