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

Hover on a compound node to display the structore

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
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0034 0.0905 0.4237
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0088 0.3012 0.3012
Trypanosoma brucei GMP reductase 0.0065 0.2136 1
Plasmodium falciparum apyrase, putative 0.0267 1 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0065 0.2136 1
Leishmania major adenylate kinase, putative 0.0027 0.0638 0.2987
Loa Loa (eye worm) GMP reductase 0.0027 0.0644 0.2137
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0267 1 1
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0025 0.0562 0.1864
Leishmania major inosine-5-monophosphate dehydrogenase 0.0065 0.2136 1
Schistosoma mansoni adenylate kinase 0.0027 0.0638 0.0638
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0065 0.2136 0.2136
Trichomonas vaginalis adenosine diphosphatase, putative 0.0025 0.0562 0.6204
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0025 0.0562 0.0562
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0025 0.0562 0.6204
Toxoplasma gondii IMP dehydrogenas 0.0065 0.2136 0.7092
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0088 0.3012 1
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0034 0.0905 0.4237
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0034 0.0905 0.4237
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Trypanosoma brucei nucleoside diphosphatase, putative 0.0025 0.0562 0.2629
Toxoplasma gondii NTPase II 0.0025 0.0562 0.1864
Trypanosoma cruzi adenylate kinase, putative 0.0027 0.0638 0.2987
Plasmodium vivax adenylate kinase 2, putative 0.0027 0.0638 0.3215
Trichomonas vaginalis adenosine/guanosine diphosphatase, putative 0.0025 0.0562 0.6204
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0027 0.0644 0.2481
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0077 0.2595 1
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0025 0.0562 0.6204
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0034 0.089 0.089
Trichomonas vaginalis guanosine-diphosphatase, putative 0.0025 0.0562 0.6204
Onchocerca volvulus Putative GMP reductase 0.0027 0.0644 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0088 0.3012 0.3012
Toxoplasma gondii adenylate kinase, putative 0.0027 0.0638 0.2118
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0905 0.0905
Schistosoma mansoni adenylate kinase 0.0027 0.0638 0.0638
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Schistosoma mansoni ATP-diphosphohydrolase 1 0.0267 1 1
Treponema pallidum adenylate kinase (adk) 0.0027 0.0638 0.5
Trypanosoma cruzi GMP reductase 0.0065 0.2136 1
Trypanosoma cruzi adenylate kinase 2 0.0019 0.0326 0.1526
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0062 0.1985 0.8869
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Loa Loa (eye worm) hypothetical protein 0.0034 0.0905 0.3005
Plasmodium falciparum nucleoside-diphosphatase, putative 0.0025 0.0562 0.0562
Echinococcus granulosus 3'partial|ectonucleoside triphosphate diphosphohydrolase 0.0025 0.0562 0.0562
Leishmania major protein kinase A catalytic subunit isoform 2 0.0034 0.0905 0.4237
Echinococcus granulosus adenylate kinase 2 mitochondrial 0.0027 0.0638 0.0638
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0034 0.0905 0.3489
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0088 0.3012 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0065 0.2136 0.2136
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0034 0.0905 0.4237
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0562 0.6204
Leishmania major ATP diphosphohydrolase 0.0025 0.0562 0.2629
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0027 0.0638 0.7049
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0034 0.0905 0.4237
Schistosoma mansoni guanosine-diphosphatase 0.0025 0.0562 0.0562
Trypanosoma brucei 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
Trypanosoma cruzi nucleoside phosphatase, putative 0.0025 0.0562 0.2629
Entamoeba histolytica PH domain containing protein kinase, putative 0.0034 0.0905 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0077 0.2595 0.2595
Toxoplasma gondii AGC kinase 0.0034 0.0905 0.3005
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0905 0.0905
Schistosoma mansoni adenosine diphosphatase 0.0025 0.0562 0.0562
Echinococcus granulosus ectonucleoside triphosphate diphosphohydrolase 0.0025 0.0562 0.0562
Loa Loa (eye worm) IMP dehydrogenase 1 0.0065 0.2136 0.7092
Leishmania major protein kinase A catalytic subunit isoform 1 0.0034 0.0905 0.4237
Trypanosoma brucei adenylate kinase, putative 0.0027 0.0638 0.2987
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0034 0.089 0.089
Trypanosoma cruzi GMP reductase 0.0065 0.2136 1
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0034 0.0905 0.3005
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0065 0.2136 0.8233
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0034 0.0905 0.4237
Toxoplasma gondii AGC kinase 0.0034 0.0905 0.3005
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0065 0.2136 1
Loa Loa (eye worm) AGC/PKA protein kinase 0.0034 0.0905 0.3005
Plasmodium vivax nucleoside-diphosphatase mig-23, putative 0.0025 0.0562 0.283
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0077 0.2595 0.8614
Echinococcus multilocularis adenylate kinase 2, mitochondrial 0.0027 0.0638 0.0638
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0065 0.2136 0.2136
Toxoplasma gondii Nucleoside-diphosphatase 0.0025 0.0562 0.1864
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0062 0.1985 0.1985
Trypanosoma cruzi adenylate kinase, putative 0.0027 0.0638 0.2987
Trichomonas vaginalis adenosine diphosphatase, putative 0.0025 0.0562 0.6204
Loa Loa (eye worm) AGC/PKA protein kinase 0.0034 0.0905 0.3005
Schistosoma mansoni adenylate kinase 0.0057 0.182 0.182
Trichomonas vaginalis NADH dehydrogenase 51 kDa subunit, putative 0.0027 0.0638 0.7049
Giardia lamblia Kinase, AGC PKA 0.0034 0.0905 0.3005
Loa Loa (eye worm) hypothetical protein 0.0025 0.0562 0.1864
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0065 0.2136 1
Plasmodium falciparum adenylate kinase 0.0027 0.0638 0.0638
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0034 0.0923 0.0954
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0077 0.2595 0.2595
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0088 0.3012 0.3012
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0905 0.0905
Brugia malayi GMP reductase 0.0027 0.0644 0.2481
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0905 1
Schistosoma mansoni guanosine-diphosphatase 0.0025 0.0562 0.0562
Leishmania major guanosine monophosphate reductase 0.0065 0.2136 1
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0562 0.6204
Leishmania major nucleoside phosphatase, putative,guanosine diphosphatase, putative 0.0025 0.0562 0.2629
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0065 0.2136 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0034 0.0905 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0088 0.3012 0.3012
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0267 1 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0034 0.0905 0.0905
Echinococcus multilocularis ectonucleoside triphosphate diphosphohydrolase 0.0267 1 1
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
Loa Loa (eye worm) hypothetical protein 0.0088 0.3012 1
Trichomonas vaginalis adenosine diphosphatase, putative 0.0025 0.0562 0.6204
Leishmania major adenylate kinase 2 0.0019 0.0326 0.1526
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0062 0.1985 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0065 0.2136 1
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0034 0.0905 0.4561
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0088 0.3012 0.3012
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0027 0.0644 0.2481
Leishmania major protein kinase A catalytic subunit 0.0034 0.0905 0.4237
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0065 0.2136 1
Trichomonas vaginalis adenosine diphosphatase, putative 0.0025 0.0562 0.6204
Toxoplasma gondii GDA1/CD39 (nucleoside phosphatase) family protein 0.0025 0.0562 0.1864
Brugia malayi Nucleoside-diphosphatase mig-23 0.0025 0.0562 0.2164
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0065 0.2136 0.5
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0034 0.0905 0.4237
Trypanosoma cruzi adenylate kinase, putative 0.0019 0.0326 0.1526
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0065 0.2136 1
Trypanosoma cruzi nucleoside phosphatase, putative 0.0025 0.0562 0.2629

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.