Detailed information for compound 1802898

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.213 | Formula: C17H16Cl2O4
  • H donors: 0 H acceptors: 1 LogP: 4.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(c1cccc(c1)COc1cc(Cl)cc(c1)Cl)C(=O)OC
  • InChi: 1S/C17H16Cl2O4/c1-21-16(17(20)22-2)12-5-3-4-11(6-12)10-23-15-8-13(18)7-14(19)9-15/h3-9,16H,10H2,1-2H3
  • InChiKey: JOJZQAMZWRQXOW-UHFFFAOYSA-N  

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
Schistosoma mansoni rab6-interacting 0.002 0.088 0.088
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0649 0.2318
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0007 0.0011 0.0023
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.785 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.184 0.184
Brugia malayi glutathione reductase 0.0047 0.2798 0.6161
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0649 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0807 0.2568
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0119 0.0261
Brugia malayi endonuclease G, mitochondrial precursor 0.002 0.0909 0.2002
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Trypanosoma brucei endonuclease G, putative 0.002 0.0909 0.325
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0649 0.2318
Schistosoma mansoni DNA helicase recq1 0.0009 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0033 0.184 0.4052
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0649 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.2798 1
Plasmodium falciparum glutathione reductase 0.0016 0.0649 0.1978
Brugia malayi hypothetical protein 0.002 0.088 0.1938
Loa Loa (eye worm) hypothetical protein 0.0017 0.0687 0.1513
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0007 0.0011 0.0023
Loa Loa (eye worm) glutathione reductase 0.0047 0.2798 0.6161
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0649 0.2318
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0649 0.0826
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0649 0.2318
Loa Loa (eye worm) hypothetical protein 0.0028 0.1474 0.3245
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.1778 0.6353
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.002 0.0909 0.325
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0649 0.0649
Brugia malayi Doublecortin family protein 0.002 0.088 0.1938
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0215 0.0769
Loa Loa (eye worm) hypothetical protein 0.0007 0.0011 0.0023
Plasmodium falciparum LCCL domain-containing protein 0.002 0.088 0.2843
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0119 0.0261
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0033 0.184 0.4052
Schistosoma mansoni hypothetical protein 0.002 0.088 0.088
Echinococcus granulosus ectonucleotide 0.0028 0.1474 0.44
Loa Loa (eye worm) hypothetical protein 0.0009 0.0119 0.0261
Leishmania major trypanothione reductase 0.0047 0.2798 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.0119 0.0354
Schistosoma mansoni polycystin 1-related 0.002 0.088 0.088
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Echinococcus granulosus RUN 0.002 0.088 0.2629
Trypanosoma cruzi endonuclease G, putative 0.002 0.0909 0.325
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0215 0.0769
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.785 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0649 0.2318
Echinococcus multilocularis ectonucleotide 0.0028 0.1474 0.44
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0215 0.0769
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0649 1
Trichomonas vaginalis rotamase, putative 0.0032 0.1778 0.97
Schistosoma mansoni DNA helicase recq5 0.0009 0.0119 0.0119
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0007 0.0011 0.0011
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0119 0.0424
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0298 0.1066
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.335 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0298 0.1066
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0119 0.0424
Schistosoma mansoni lipoxygenase 0.002 0.088 0.088
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.1778 0.6353
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0986 0.2945
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0649 1
Onchocerca volvulus 0.0033 0.184 0.2622
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0649 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0649 0.2318
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0649 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0649 0.2318
Plasmodium falciparum glutathione reductase 0.0047 0.2798 1
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0007 0.0011 0.0031
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.002 0.0909 0.325
Plasmodium falciparum thioredoxin reductase 0.0047 0.2798 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.184 0.184
Schistosoma mansoni hypothetical protein 0.0072 0.4542 0.4542
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0007 0.0011 0.0031
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0649 0.2318
Plasmodium falciparum thioredoxin reductase 0.0016 0.0649 0.1978
Mycobacterium tuberculosis Probable reductase 0.0107 0.7013 0.8933
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.1833 0.4035
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.335 1
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0986 0.2172
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0007 0.0011 0.0011
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0007 0.0011 0.0031
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0649 0.1428
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0496 0.1773
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.2798 1
Trypanosoma cruzi endonuclease G, putative 0.002 0.0909 0.325
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.088 0.2629
Loa Loa (eye worm) doublecortin family protein 0.002 0.088 0.1938
Entamoeba histolytica recQ family helicase, putative 0.0011 0.0298 0.1628
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0007 0.0011 0.0011
Brugia malayi Thrombospondin type 1 domain containing protein 0.0072 0.4542 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0649 0.1937
Loa Loa (eye worm) hypothetical protein 0.0033 0.184 0.4052
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0007 0.0011 0.0031
Loa Loa (eye worm) hypothetical protein 0.0033 0.184 0.4052
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0007 0.0011 0.0031
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0649 0.2318
Schistosoma mansoni endonuclease related 0.002 0.0909 0.0909
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0028 0.1474 0.44
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.7013 0.8933
Loa Loa (eye worm) hypothetical protein 0.0007 0.0011 0.0023
Toxoplasma gondii thioredoxin reductase 0.0047 0.2798 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.2798 0.8355
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0649 0.3503
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.7013 0.8933
Trypanosoma brucei trypanothione reductase 0.0047 0.2798 1
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0007 0.0011 0.0023
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.1321 0.2909
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.088 0.2629
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0649 0.3503
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.002 0.0909 0.325
Schistosoma mansoni rab6-interacting 0.002 0.088 0.088
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0649 0.2318
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.001 0.0215 0.0769
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0007 0.0011 0.0031
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0986 0.5356
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0649 0.2318
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0649 0.2318
Trichomonas vaginalis rotamase, putative 0.0033 0.1833 1
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.088 0.2629
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0346 0.0762
Trypanosoma brucei endonuclease G, putative 0.002 0.0909 0.325
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.001 0.0215 0.0769
Schistosoma mansoni loxhd1 0.002 0.088 0.088
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.1778 0.6353
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.002 0.0909 0.325
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0649 0.2318
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0119 0.0261
Brugia malayi hypothetical protein 0.002 0.088 0.1938
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0986 0.5356
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0649 0.1937
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0649 0.2318
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.0119 0.0354
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0007 0.0011 0.0011
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0649 0.2318
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.2798 0.3565
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0649 0.2318
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0649 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0649 0.0615
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.7013 0.8933
Loa Loa (eye worm) hypothetical protein 0.002 0.088 0.1938
Schistosoma mansoni rotamase 0.0033 0.1833 0.1833
Loa Loa (eye worm) hypothetical protein 0.0007 0.0011 0.0023
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.088 0.2629
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.184 0.184
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.785 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.7013 0.8933
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.1778 0.6353
Loa Loa (eye worm) RecQ helicase 0.0021 0.0986 0.2172
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.088 0.2629
Loa Loa (eye worm) hypothetical protein 0.002 0.088 0.1938
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0032 0.1778 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0033 0.184 0.184
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.088 0.2629
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0028 0.1474 0.44
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1833 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.7013 0.8933
Brugia malayi Cytochrome P450 family protein 0.0026 0.1321 0.2909
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.0119 0.0354
Leishmania major endonuclease G, putative 0.002 0.0909 0.325
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0676 0.0676
Trypanosoma brucei endonuclease G, putative 0.002 0.0909 0.325
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.2798 0.8355
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0649 0.0615
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0649 0.2318
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0007 0.0011 0.0023
Onchocerca volvulus 0.0072 0.4542 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0649 0.2318
Echinococcus granulosus expressed protein 0.0033 0.1833 0.5471
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.088 0.1626
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0298 0.1066
Brugia malayi Thioredoxin reductase 0.0047 0.2798 0.6161
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.2798 1
Trichomonas vaginalis DNA helicase recq, putative 0.0011 0.0298 0.1579
Schistosoma mansoni lipoxygenase 0.0055 0.335 0.335
Echinococcus granulosus bloom syndrome protein 0.0021 0.0986 0.2945
Echinococcus granulosus Endonuclease G 0.002 0.0909 0.2715
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0649 0.1978
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0007 0.0011 0.0023
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0007 0.0011 0.0011
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0649 0.1978
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.1778 0.6353
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0033 0.184 0.5494
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0649 0.2318
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.0119 0.0354
Echinococcus multilocularis RUN 0.002 0.088 0.2629
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0072 0.4542 1
Echinococcus multilocularis expressed protein 0.0033 0.1833 0.5471
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.785 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0346 0.0762
Treponema pallidum NADH oxidase 0.0016 0.0649 0.5
Onchocerca volvulus 0.0033 0.184 0.2622
Echinococcus multilocularis Endonuclease G 0.002 0.0909 0.2715
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.1833 0.4035
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.7013 0.8933
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.2798 0.6161

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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