Detailed information for compound 788169

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.449 | Formula: C22H24N4O6
  • H donors: 2 H acceptors: 3 LogP: 1.28 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)CNC(=O)c1nn(c2ccc(c(c2)OC)OC)c(=O)c2c1cccc2
  • InChi: 1S/C22H24N4O6/c1-30-11-10-23-19(27)13-24-21(28)20-15-6-4-5-7-16(15)22(29)26(25-20)14-8-9-17(31-2)18(12-14)32-3/h4-9,12H,10-11,13H2,1-3H3,(H,23,27)(H,24,28)
  • InChiKey: RWBPMRMZLHLMSY-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
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.0469 0.0606
Brugia malayi amidase 0.0101 0.1426 0.1273
Brugia malayi Heterochromatin protein 1 0.007 0.0888 0.0726
Brugia malayi MH2 domain containing protein 0.0124 0.1843 0.1697
Echinococcus granulosus geminin 0.017 0.2644 0.5732
Schistosoma mansoni heat shock protein 0.0031 0.0198 0.0053
Trypanosoma brucei Heat shock protein 83, putative 0.0046 0.0469 0.0606
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0285 0.4666 1
Schistosoma mansoni heat shock protein 0.0046 0.0469 0.0681
Toxoplasma gondii Hsp90 domain-containing protein 0.0174 0.2718 1
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0283 0.0251
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.0469 0.0606
Brugia malayi Hsp90 protein 0.0031 0.0198 0.0023
Trypanosoma brucei heat shock protein, putative 0.0046 0.0469 0.0606
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.1066 0.1524
Trypanosoma cruzi monoglyceride lipase, putative 0.0285 0.4666 1
Brugia malayi chromobox protein homolog 3 0.0039 0.035 0.0177
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.1066 0.3578
Echinococcus granulosus CREB binding protein 0.0275 0.4482 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.1324 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0285 0.4666 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0285 0.4666 1
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0031 0.0198 0.0053
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1324 0.2631
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.1066 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0963 0.183
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.1066 0.2069
Echinococcus multilocularis endoplasmin 0.0043 0.0419 0.0566
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.1066 0.1524
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Echinococcus multilocularis geminin 0.017 0.2644 0.5732
Schistosoma mansoni fatty-acid amide hydrolase 0.0101 0.1426 0.2904
Plasmodium vivax heat shock protein 86, putative 0.0046 0.0469 0.0713
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Echinococcus granulosus heat shock protein 90 0.0039 0.0352 0.0411
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0583 0.0385
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0043 0.0419 0.0604
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0888 0.0726
Schistosoma mansoni endoplasmin 0.0046 0.0469 0.0681
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.1324 0.2838
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Schistosoma mansoni hypothetical protein 0.0074 0.0963 0.183
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0583 0.0946
Echinococcus multilocularis heat shock protein 90 0.0039 0.0352 0.0411
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.0469 0.1004
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0285 0.4666 1
Echinococcus granulosus chromobox protein 1 0.007 0.0888 0.1655
Toxoplasma gondii heat shock protein 90, putative 0.0046 0.0469 0.1254
Toxoplasma gondii heat shock protein 75, putative 0.0031 0.0198 0.0202
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0285 0.4666 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1324 0.2631
Trichomonas vaginalis conserved hypothetical protein 0.0285 0.4666 1
Mycobacterium ulcerans lysophospholipase 0.0285 0.4666 1
Trypanosoma brucei heat shock protein, putative 0.0046 0.0469 0.0606
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.1324 0.2521
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0175 0.0114
Echinococcus multilocularis chromobox protein 1 0.007 0.0888 0.1655
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.1342 0.271
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.054 0.0371
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.1066 0.5
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.0352 0.0755
Loa Loa (eye worm) hypothetical protein 0.0589 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1324 0.2631
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.1066 0.2069
Schistosoma mansoni hypothetical protein 0.017 0.2644 0.5732
Trichomonas vaginalis heat shock protein, putative 0.0043 0.0419 0.0635
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1324 0.2631
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0283 0.011
Schistosoma mansoni amidase 0.0101 0.1426 0.2904
Trypanosoma brucei heat shock protein, putative 0.0046 0.0469 0.0606
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0101 0.1426 0.2904
Leishmania major monoglyceride lipase, putative 0.0285 0.4666 1
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0031 0.0198 0.0197
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.0352 0.1538
Echinococcus multilocularis heat shock protein 90 0.0046 0.0469 0.0681
Echinococcus granulosus heat shock protein 90 0.0046 0.0469 0.0681
Trichomonas vaginalis chromobox protein, putative 0.007 0.0888 0.167
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.035 0.0482
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0101 0.1426 0.2904
Loa Loa (eye worm) CBP-B 0.0275 0.4482 0.4383
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0352 0.0487
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.1066 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1066 0.0907
Brugia malayi TAZ zinc finger family protein 0.0275 0.4482 0.4383
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.054 0.0371
Trypanosoma brucei polo-like protein kinase 0.0095 0.1324 0.2521
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0402 0.197
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.1342 0.271
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0285 0.4666 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0583 0.0385
Trypanosoma brucei heat shock protein, putative 0.0046 0.0469 0.0606
Trichomonas vaginalis heat shock protein, putative 0.0043 0.0419 0.0635
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0175 0.0114
Trypanosoma brucei heat shock protein, putative 0.0046 0.0469 0.0606
Brugia malayi Probable ClpP-like protease 0.008 0.1066 0.0907
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0485 0.0781
Brugia malayi hypothetical protein 0.0074 0.0963 0.0802
Echinococcus multilocularis CREB binding protein 0.0275 0.4482 1
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.0469 0.1004
Trypanosoma cruzi heat shock protein 90, putative 0.0046 0.0469 0.1004
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Toxoplasma gondii heat shock protein HSP90 0.0046 0.0469 0.1254
Trypanosoma cruzi heat shock protein, putative 0.0031 0.0198 0.0424
Schistosoma mansoni CREB-binding protein 2 0.0275 0.4482 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0285 0.4666 1
Plasmodium falciparum lysophospholipase, putative 0.0285 0.4666 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0283 0.0251
Echinococcus multilocularis chromobox protein 1 0.007 0.0888 0.1655
Plasmodium vivax endoplasmin, putative 0.0046 0.0469 0.0713
Treponema pallidum heat shock protein 90 0.0043 0.0419 0.2966
Trypanosoma cruzi Heat shock protein 83, putative 0.0046 0.0469 0.1004
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.1843 0.1697
Plasmodium falciparum lysophospholipase, putative 0.0285 0.4666 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0376 0.0467
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1324 0.2631
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.1843 0.1697
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.1066 0.2069
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.0469 0.0606
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Loa Loa (eye worm) hypothetical protein 0.005 0.054 0.0371
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.0469 0.0606
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0031 0.0198 0.0053
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0285 0.4666 1
Loa Loa (eye worm) heat shock protein 90 0.0046 0.0469 0.0298
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0285 0.4666 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1324 0.2631
Loa Loa (eye worm) endoplasmin 0.0046 0.0469 0.0298
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0285 0.4666 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.1066 0.2062
Giardia lamblia Grp94/Hsp90 0.0043 0.0419 0.2121
Onchocerca volvulus 0.0031 0.0201 0.0224
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0997 0.1908
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Trichomonas vaginalis chromobox protein, putative 0.007 0.0888 0.167
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0402 0.0597
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.1324 0.1169
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0028 0.0146 0.0033
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.054 0.0371
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0175 0.0065
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0043 0.0419 0.0495
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.1324 0.2521
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Trypanosoma brucei heat shock protein, putative 0.0046 0.0469 0.0606
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.1324 0.2668
Plasmodium vivax heat shock protein 90, putative 0.0031 0.0198 0.0115
Trypanosoma brucei heat shock protein, putative 0.0046 0.0469 0.0606
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0275 0.4482 1
Echinococcus granulosus endoplasmin 0.0043 0.0419 0.0566
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.1324 0.1169
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.035 0.1516
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0039 0.0352 0.0411
Schistosoma mansoni hypothetical protein 0.017 0.2644 0.5732
Brugia malayi heat shock protein 90 0.0046 0.0469 0.0298
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0485 0.0781
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0149 0.0039
Plasmodium falciparum esterase, putative 0.0285 0.4666 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1324 0.2631
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.0469 0.1004
Trypanosoma brucei heat shock protein, putative 0.0046 0.0469 0.0606
Echinococcus granulosus fatty acid amide hydrolase 1 0.0101 0.1426 0.2904
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0149 0.0039
Giardia lamblia Heat shock protein HSP 90-alpha 0.0046 0.0469 0.2552
Plasmodium falciparum phd finger protein, putative 0.0029 0.0175 0.0098
Brugia malayi Endoplasmin precursor 0.0046 0.0469 0.0298
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0262 0.0088
Brugia malayi jmjC domain containing protein 0.0035 0.0283 0.011
Trypanosoma brucei monoglyceride lipase, putative 0.0285 0.4666 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.1066 0.2036
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Echinococcus multilocularis heat shock protein 0.0046 0.0469 0.0681
Trichomonas vaginalis endoplasmin, putative 0.0033 0.0248 0.0257
Plasmodium falciparum lysophospholipase, putative 0.0285 0.4666 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.1324 0.2668
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Loa Loa (eye worm) hypothetical protein 0.0101 0.1426 0.1273
Loa Loa (eye worm) hypothetical protein 0.0031 0.0201 0.0026
Loa Loa (eye worm) hypothetical protein 0.0034 0.0262 0.0088
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.1066 0.2036
Echinococcus granulosus fatty acid amide hydrolase 1 0.0101 0.1426 0.2904
Plasmodium vivax PST-A protein 0.0285 0.4666 1
Plasmodium vivax heat shock protein, putative 0.0174 0.2718 0.569
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.1324 0.2838
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0722 0.0556
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.1066 0.5
Schistosoma mansoni heat shock protein 0.0046 0.0469 0.0681
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0283 0.0251
Schistosoma mansoni hypothetical protein 0.0034 0.0262 0.0201
Mycobacterium ulcerans hypothetical protein 0.0285 0.4666 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.035 0.0482
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Echinococcus granulosus CREB binding protein 0.0275 0.4482 1
Schistosoma mansoni chromobox protein 0.007 0.0888 0.1655
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0963 0.183
Trichomonas vaginalis heat shock protein, putative 0.0046 0.0469 0.0744
Trypanosoma brucei monoglyceride lipase, putative 0.0285 0.4666 1
Entamoeba histolytica hypothetical protein 0.0074 0.0963 0.1713
Entamoeba histolytica hypothetical protein 0.0074 0.0963 0.1713
Giardia lamblia Kinase, PLK 0.0095 0.1324 1
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0283 0.0251
Loa Loa (eye worm) hypothetical protein 0.005 0.0542 0.0373
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0963 0.183
Trichomonas vaginalis conserved hypothetical protein 0.0285 0.4666 1
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0376 0.0467
Schistosoma mansoni endoplasmin 0.0046 0.0469 0.0681
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Trichomonas vaginalis heat shock protein, putative 0.0033 0.0248 0.0257
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0583 0.0966
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Schistosoma mansoni chromobox protein 0.007 0.0888 0.1655
Entamoeba histolytica hypothetical protein 0.0074 0.0963 0.1713
Schistosoma mansoni kinase 0.0048 0.0507 0.077
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0352 0.0755
Leishmania major heat shock protein 83-1 0.0046 0.0469 0.0606
Loa Loa (eye worm) hypothetical protein 0.0039 0.035 0.0177
Echinococcus granulosus chromobox protein 1 0.007 0.0888 0.1655
Brugia malayi jmjC domain containing protein 0.0096 0.1342 0.1188
Plasmodium falciparum heat shock protein 90 0.0046 0.0469 0.0744
Loa Loa (eye worm) heat shock protein 75 0.0031 0.0198 0.0023
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0583 0.0946
Plasmodium falciparum heat shock protein 90, putative 0.0174 0.2718 0.5704
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.1066 0.3578
Echinococcus granulosus heat shock protein 0.0046 0.0469 0.0681
Plasmodium falciparum endoplasmin, putative 0.0033 0.0248 0.0257
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.1324 0.2668
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0402 0.0597
Entamoeba histolytica hypothetical protein 0.0074 0.0963 0.1713

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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