Detailed information for compound 911725

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 472.489 | Formula: C27H24N2O6
  • H donors: 2 H acceptors: 3 LogP: 4.62 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(c(c1)C)C
  • InChi: 1S/C27H24N2O6/c1-16-4-6-20(12-17(16)2)25(30)29-22(13-18-5-11-23-24(14-18)35-15-34-23)26(31)28-21-9-7-19(8-10-21)27(32)33-3/h4-14H,15H2,1-3H3,(H,28,31)(H,29,30)/b22-13-
  • InChiKey: VXURMNZUDIZJDS-XKZIYDEJSA-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
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0905 0.0905
Loa Loa (eye worm) AGC/PKA protein kinase 0.0034 0.0905 0.3005
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Plasmodium vivax nucleoside-diphosphatase mig-23, putative 0.0025 0.0562 0.283
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0077 0.2595 0.2595
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0025 0.0562 0.1864
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0065 0.2136 0.2136
Plasmodium vivax adenylate kinase 2, putative 0.0027 0.0638 0.3215
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0062 0.1985 0.8869
Leishmania major protein kinase A catalytic subunit isoform 2 0.0034 0.0905 0.4237
Leishmania major adenylate kinase, putative 0.0019 0.0326 0.1526
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Brugia malayi Nucleoside-diphosphatase mig-23 0.0025 0.0562 0.2164
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Schistosoma mansoni adenylate kinase 0.0057 0.182 0.182
Leishmania major nucleoside phosphatase, putative,guanosine diphosphatase, putative 0.0025 0.0562 0.2629
Loa Loa (eye worm) GMP reductase 0.0027 0.0644 0.2137
Onchocerca volvulus Putative GMP reductase 0.0027 0.0644 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0077 0.2595 0.2595
Trypanosoma brucei nucleoside diphosphatase, putative 0.0025 0.0562 0.2629
Trypanosoma cruzi nucleoside phosphatase, putative 0.0025 0.0562 0.2629
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0088 0.3012 0.3012
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0034 0.089 0.089
Trypanosoma brucei GMP reductase 0.0065 0.2136 1
Treponema pallidum adenylate kinase (adk) 0.0027 0.0638 0.5
Toxoplasma gondii Nucleoside-diphosphatase 0.0025 0.0562 0.1864
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0905 0.0905
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0034 0.0905 0.3005
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0562 0.6204
Toxoplasma gondii adenylate kinase, putative 0.0027 0.0638 0.2118
Trypanosoma brucei adenylate kinase, putative 0.0019 0.0326 0.1526
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0088 0.3012 0.3012
Schistosoma mansoni adenylate kinase 0.0027 0.0638 0.0638
Toxoplasma gondii AGC kinase 0.0034 0.0905 0.3005
Schistosoma mansoni guanosine-diphosphatase 0.0025 0.0562 0.0562
Leishmania major adenylate kinase 2 0.0019 0.0326 0.1526
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0088 0.3012 1
Leishmania major ATP diphosphohydrolase 0.0025 0.0562 0.2629
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0025 0.0562 0.6204
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0562 0.6204
Echinococcus granulosus ectonucleoside triphosphate diphosphohydrolase 0.0025 0.0562 0.0562
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0062 0.1985 0.1985
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0027 0.0644 0.2481
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0034 0.0905 0.4237
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0065 0.2136 0.8233
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0027 0.0638 0.7049
Trichomonas vaginalis adenosine diphosphatase, putative 0.0025 0.0562 0.6204
Loa Loa (eye worm) hypothetical protein 0.0034 0.0905 0.3005
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0034 0.0905 0.4237
Toxoplasma gondii IMP dehydrogenas 0.0065 0.2136 0.7092
Trichomonas vaginalis adenosine/guanosine diphosphatase, putative 0.0025 0.0562 0.6204
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0025 0.0562 0.0562
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0077 0.2595 1
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0065 0.2136 1
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0025 0.0562 0.6204
Loa Loa (eye worm) hypothetical protein 0.0025 0.0562 0.1864
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0027 0.0638 0.7049
Trypanosoma cruzi adenylate kinase, putative 0.0027 0.0638 0.2987
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0088 0.3012 1
Plasmodium falciparum adenylate kinase 0.0027 0.0638 0.0638
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0034 0.0905 0.4237
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0088 0.3012 0.3012
Schistosoma mansoni ATP-diphosphohydrolase 1 0.0267 1 1
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0267 1 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Echinococcus granulosus 3'partial|ectonucleoside triphosphate diphosphohydrolase 0.0025 0.0562 0.0562
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0025 0.0562 0.6204
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0088 0.3012 0.3012
Trypanosoma cruzi nucleoside phosphatase, putative 0.0025 0.0562 0.2629
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0077 0.2595 0.8614
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0267 1 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0065 0.2136 1
Giardia lamblia Kinase, AGC PKA 0.0034 0.0905 0.3005
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0027 0.0644 0.2481
Plasmodium falciparum nucleoside-diphosphatase, putative 0.0025 0.0562 0.0562
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0034 0.089 0.089
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0034 0.0905 0.4237
Leishmania major inosine-5-monophosphate dehydrogenase 0.0065 0.2136 1
Brugia malayi GMP reductase 0.0027 0.0644 0.2481
Plasmodium falciparum apyrase, putative 0.0267 1 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0065 0.2136 0.2136
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0065 0.2136 1
Trypanosoma cruzi adenylate kinase, putative 0.0027 0.0638 0.2987
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Leishmania major adenylate kinase, putative 0.0027 0.0638 0.2987
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0065 0.2136 0.2136
Echinococcus multilocularis adenylate kinase 2, mitochondrial 0.0027 0.0638 0.0638
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0065 0.2136 1
Loa Loa (eye worm) hypothetical protein 0.0088 0.3012 1
Loa Loa (eye worm) IMP dehydrogenase 1 0.0065 0.2136 0.7092
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0034 0.0923 0.0954
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0065 0.2136 0.5
Trypanosoma brucei adenylate kinase, putative 0.0027 0.0638 0.2987
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0025 0.0562 0.1864
Toxoplasma gondii NTPase II 0.0025 0.0562 0.1864
Trypanosoma cruzi adenylate kinase 2 0.0019 0.0326 0.1526
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0088 0.3012 0.3012
Trichomonas vaginalis adenosine diphosphatase, putative 0.0025 0.0562 0.6204
Leishmania major protein kinase A catalytic subunit isoform 1 0.0034 0.0905 0.4237
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0034 0.0905 0.4237
Toxoplasma gondii AGC kinase 0.0034 0.0905 0.3005
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0034 0.0905 0.4237
Loa Loa (eye worm) AGC/PKA protein kinase 0.0034 0.0905 0.3005
Trypanosoma cruzi GMP reductase 0.0065 0.2136 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0034 0.0905 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.0034 0.0905 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0065 0.2136 1
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0905 1
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0267 1 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0062 0.1985 1
Leishmania major protein kinase A catalytic subunit 0.0034 0.0905 0.4237
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0034 0.0905 0.4561
Trypanosoma cruzi GMP reductase 0.0065 0.2136 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0065 0.2136 1
Schistosoma mansoni guanosine-diphosphatase 0.0025 0.0562 0.0562
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0065 0.2136 1
Schistosoma mansoni adenosine diphosphatase 0.0025 0.0562 0.0562
Schistosoma mansoni adenylate kinase 0.0027 0.0638 0.0638
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0905 0.0905
Trichomonas vaginalis adenosine diphosphatase, putative 0.0025 0.0562 0.6204
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0034 0.0905 0.3489
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0034 0.0905 0.4237
Echinococcus granulosus adenylate kinase 2 mitochondrial 0.0027 0.0638 0.0638
Trichomonas vaginalis adenosine diphosphatase, putative 0.0025 0.0562 0.6204
Trypanosoma cruzi adenylate kinase, putative 0.0019 0.0326 0.1526
Trypanosoma brucei nucleoside phosphatase, putative 0.0025 0.0562 0.2629
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0025 0.0562 0.1864
Leishmania major guanosine monophosphate reductase 0.0065 0.2136 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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