Detailed information for compound 911984

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.892 | Formula: C20H27ClN2O5
  • H donors: 1 H acceptors: 3 LogP: 2.96 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1(CCCN(C1)C(=O)NCC(=O)OCC)Cc1cccc(c1)Cl
  • InChi: 1S/C20H27ClN2O5/c1-3-27-17(24)13-22-19(26)23-10-6-9-20(14-23,18(25)28-4-2)12-15-7-5-8-16(21)11-15/h5,7-8,11H,3-4,6,9-10,12-14H2,1-2H3,(H,22,26)
  • InChiKey: SOSTVSHOLDSXIK-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
Toxoplasma gondii NTPase II 0.0031 0.0615 0.3948
Schistosoma mansoni adenosine diphosphatase 0.0031 0.0615 0.0128
Plasmodium falciparum apyrase, putative 0.0333 1 1
Giardia lamblia Adenylate kinase 0.0012 0 0.5
Echinococcus granulosus geminin 0.0172 0.4991 0.4991
Echinococcus granulosus adenylate kinase 2 mitochondrial 0.0034 0.0691 0.0691
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0031 0.0615 0.0615
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0333 1 1
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0098 0.1591
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0098 0.1591
Leishmania major adenylate kinase 2 0.0024 0.0381 0.2444
Schistosoma mansoni guanosine-diphosphatase 0.0031 0.0615 0.0128
Loa Loa (eye worm) hypothetical protein 0.0013 0.0037 0.0603
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0053 0.0053
Schistosoma mansoni ATP-diphosphohydrolase 1 0.0333 1 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0053 0.0053
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0031 0.0615 0.3948
Echinococcus granulosus 3'partial|ectonucleoside triphosphate diphosphohydrolase 0.0031 0.0615 0.0615
Schistosoma mansoni adenylate kinase 0.0072 0.1866 0.1445
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1559 0.1121
Onchocerca volvulus 0.0027 0.0493 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1559 0.1559
Trypanosoma brucei nucleoside diphosphatase, putative 0.0031 0.0615 0.89
Trypanosoma cruzi adenylate kinase, putative 0.0034 0.0691 1
Schistosoma mansoni hypothetical protein 0.0172 0.4991 0.4731
Mycobacterium leprae PROBABLE ADENYLATE KINASE KAD (ATP-AMP TRANSPHOSPHORYLASE) 0.0012 0 0.5
Entamoeba histolytica adenylate kinase 0.0012 0 0.5
Trypanosoma cruzi nucleoside phosphatase, putative 0.0031 0.0615 0.89
Treponema pallidum adenylate kinase (adk) 0.0034 0.0691 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0493 0.8015
Schistosoma mansoni adenylate kinase 0.0034 0.0691 0.0208
Toxoplasma gondii Nucleoside-diphosphatase 0.0031 0.0615 0.3948
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1559 1
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0034 0.0691 1
Echinococcus multilocularis lamin 0.0027 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0027 0.0493 0.8015
Onchocerca volvulus 0.0027 0.0493 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1559 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1559 0.1121
Plasmodium vivax adenylate kinase 2, putative 0.0034 0.0691 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0615 1
Chlamydia trachomatis adenylate kinase 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0478 0.7762
Leishmania major nucleoside phosphatase, putative,guanosine diphosphatase, putative 0.0031 0.0615 0.3948
Echinococcus multilocularis geminin 0.0172 0.4991 0.4991
Wolbachia endosymbiont of Brugia malayi adenylate kinase 0.0012 0 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1559 1
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0333 1 1
Plasmodium falciparum adenylate kinase 0.0034 0.0691 0.0081
Loa Loa (eye worm) hypothetical protein 0.0013 0.0037 0.0603
Echinococcus multilocularis musashi 0.0027 0.0493 0.0493
Echinococcus granulosus lamin 0.0027 0.0493 0.0493
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1559 1
Echinococcus granulosus lamin dm0 0.0027 0.0493 0.0493
Schistosoma mansoni adenylate kinase 0.0034 0.0691 0.0208
Trypanosoma cruzi adenylate kinase, putative 0.0034 0.0691 1
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0333 1 1
Trypanosoma cruzi adenylate kinase 2 0.0024 0.0381 0.5511
Echinococcus multilocularis adenylate kinase 2, mitochondrial 0.0034 0.0691 0.0691
Leishmania major adenylate kinase, putative 0.0024 0.0381 0.2444
Trypanosoma cruzi nucleoside phosphatase, putative 0.0031 0.0615 0.89
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0034 0.0691 1
Schistosoma mansoni guanosine-diphosphatase 0.0031 0.0615 0.0128
Echinococcus granulosus ectonucleoside triphosphate diphosphohydrolase 0.0031 0.0615 0.0615
Trypanosoma cruzi adenylate kinase, putative 0.0024 0.0381 0.5511
Trypanosoma brucei adenylate kinase, putative 0.0034 0.0691 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0053 0.0857
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1559 0.1559
Echinococcus multilocularis lamin dm0 0.0027 0.0493 0.0493
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0031 0.0615 0.3948
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0493 0.8015
Echinococcus granulosus intermediate filament protein 0.0027 0.0493 0.0493
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0031 0.0615 0.3948
Leishmania major adenylate kinase, putative 0.0034 0.0691 0.4435
Brugia malayi Nucleoside-diphosphatase mig-23 0.0031 0.0615 1
Schistosoma mansoni hypothetical protein 0.0172 0.4991 0.4731
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1559 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0493 0.8015
Brugia malayi intermediate filament protein 0.0027 0.0493 0.8015
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1559 1
Trypanosoma brucei nucleoside phosphatase, putative 0.0031 0.0615 0.89
Toxoplasma gondii adenylate kinase, putative 0.0034 0.0691 0.4435
Trypanosoma brucei adenylate kinase, putative 0.0024 0.0381 0.5511
Leishmania major ATP diphosphohydrolase 0.0031 0.0615 0.3948

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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