Detailed information for compound 884608

Basic information

Technical information
  • TDR Targets ID: 884608
  • Name: STOCK5S-43671
  • MW: 385.374 | Formula: C18H19N5O5
  • H donors: 0 H acceptors: 4 LogP: 1.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cn1c(=O)n(C)c2c(c1=O)n1c(n2)n(c(c1C)C)Cc1ccco1
  • InChi: 1S/C18H19N5O5/c1-10-11(2)23-14-15(19-17(23)21(10)8-12-6-5-7-28-12)20(3)18(26)22(16(14)25)9-13(24)27-4/h5-7H,8-9H2,1-4H3
  • InChiKey: ZWIMWDZTOMJHSE-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
Echinococcus granulosus acetylcholinesterase 0.0138 0.4096 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0663 0.0853
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.5589 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3381 0.435
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1111 0.1111
Schistosoma mansoni hypothetical protein 0.0033 0.0597 0.1456
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0183 0.5589 0.5589
Echinococcus granulosus neuroligin 0.0023 0.0264 0.0643
Echinococcus multilocularis carboxylesterase 5A 0.0138 0.4096 1
Brugia malayi hypothetical protein 0.0025 0.0307 0.0307
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0115 0.3319 0.8103
Schistosoma mansoni transient receptor potential channel 0.0063 0.158 0.3857
Loa Loa (eye worm) hypothetical protein 0.0025 0.0307 0.0395
Loa Loa (eye worm) hypothetical protein 0.0032 0.0557 0.0717
Loa Loa (eye worm) hypothetical protein 0.0095 0.2652 0.3413
Loa Loa (eye worm) hypothetical protein 0.0138 0.4096 0.5271
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.5589 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.4416 0.5683
Loa Loa (eye worm) hypothetical protein 0.0023 0.0264 0.0339
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0023 0.0264 0.0643
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0307 1
Schistosoma mansoni gliotactin 0.0023 0.0264 0.0643
Loa Loa (eye worm) hypothetical protein 0.0133 0.3936 0.5066
Loa Loa (eye worm) acetylcholinesterase 1 0.0138 0.4096 0.5271
Echinococcus granulosus transient receptor potential gamma protein 0.0095 0.2652 0.6475
Echinococcus granulosus TRP transient receptor potential channel 0.0035 0.0663 0.1618
Echinococcus granulosus acetylcholinesterase 0.0138 0.4096 1
Brugia malayi Carboxylesterase family protein 0.0023 0.0264 0.0264
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0264 0.0643
Schistosoma mansoni transient receptor potential channel 0.0095 0.2652 0.6475
Brugia malayi Carboxylesterase family protein 0.0023 0.0264 0.0264
Schistosoma mansoni neuroligin 3 (S09 family) 0.0023 0.0264 0.0643
Loa Loa (eye worm) hypothetical protein 0.0033 0.0597 0.0768
Brugia malayi Transient-receptor-potential like protein 0.0035 0.0663 0.0663
Loa Loa (eye worm) carboxylesterase 0.0023 0.0264 0.0339
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0035 0.0663 0.1618
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0183 0.5589 0.7192
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0126 0.3707 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0307 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.1707 0.2197
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0056 0.1366 0.207
Echinococcus granulosus para nitrobenzyl esterase 0.0023 0.0264 0.0643
Loa Loa (eye worm) hypothetical protein 0.006 0.1474 0.1897
Mycobacterium tuberculosis Carboxylesterase LipT 0.0023 0.0264 0.0711
Leishmania major hypothetical protein, conserved 0.0056 0.1366 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0023 0.0264 0.0643
Onchocerca volvulus 0.0148 0.4416 0.7797
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0264 0.0711
Loa Loa (eye worm) hypothetical protein 0.0023 0.0264 0.0339
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0183 0.5589 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0264 0.0339
Schistosoma mansoni transient receptor potential channel 0.0063 0.158 0.3857
Loa Loa (eye worm) carboxylesterase 0.0138 0.4096 0.5271
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0056 0.1366 0.207
Echinococcus multilocularis BC026374 protein (S09 family) 0.0023 0.0264 0.0643
Loa Loa (eye worm) hypothetical protein 0.0049 0.1111 0.143
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.5589 1
Schistosoma mansoni acetylcholinesterase 0.0023 0.0264 0.0643
Echinococcus granulosus transient receptor potential ion channel A 0.0092 0.2546 0.6217
Loa Loa (eye worm) hypothetical protein 0.0023 0.0264 0.0339
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0183 0.5589 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0264 0.0643
Brugia malayi Carboxylesterase family protein 0.0138 0.4096 0.4096
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0023 0.0264 0.0711
Brugia malayi MH2 domain containing protein 0.0117 0.3381 0.3381
Brugia malayi hypothetical protein 0.0016 0.0015 0.0015
Brugia malayi Carboxylesterase family protein 0.0023 0.0264 0.0264
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0307 1
Onchocerca volvulus 0.0183 0.5589 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0307 0.2247
Echinococcus multilocularis transient receptor potential gamma protein 0.0095 0.2652 0.6475
Echinococcus granulosus short transient receptor potential channel 6 0.0063 0.158 0.3857
Echinococcus multilocularis short transient receptor potential channel 6 0.0063 0.158 0.3857
Loa Loa (eye worm) hypothetical protein 0.0138 0.4096 0.5271
Schistosoma mansoni BC026374 protein (S09 family) 0.0023 0.0264 0.0643
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.5589 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.5589 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0307 0.2247
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3381 0.435
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0183 0.5589 0.5
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0183 0.5589 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.1366 1
Echinococcus granulosus short transient receptor potential channel 6 0.0063 0.158 0.3857
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0307 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0307 0.2247
Loa Loa (eye worm) hypothetical protein 0.0248 0.7771 1
Leishmania major hypothetical protein, conserved 0.0025 0.0307 0.2247
Echinococcus multilocularis para nitrobenzyl esterase 0.0023 0.0264 0.0643
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1111 0.143
Echinococcus multilocularis acetylcholinesterase 0.0138 0.4096 1
Brugia malayi Carboxylesterase family protein 0.0023 0.0264 0.0264
Schistosoma mansoni transient receptor potential channel 4 0.0095 0.2652 0.6475
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.5589 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0092 0.2546 0.6217
Echinococcus multilocularis neuroligin 0.0023 0.0264 0.0643
Loa Loa (eye worm) hypothetical protein 0.0023 0.0264 0.0339
Brugia malayi hypothetical protein 0.0148 0.4416 0.4416
Echinococcus multilocularis acetylcholinesterase 0.0138 0.4096 1
Loa Loa (eye worm) carboxylesterase 0.0023 0.0264 0.0339
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0597 0.0597
Echinococcus multilocularis short transient receptor potential channel 6 0.0063 0.158 0.3857
Echinococcus granulosus BC026374 protein S09 family 0.0023 0.0264 0.0643
Brugia malayi Carboxylesterase family protein 0.0138 0.4096 0.4096
Loa Loa (eye worm) hypothetical protein 0.0023 0.0264 0.0339
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0023 0.0264 0.0643
Brugia malayi hypothetical protein 0.0023 0.0264 0.0264
Echinococcus granulosus carboxylesterase 5A 0.0138 0.4096 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0138 0.4096 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0264 0.0339
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0056 0.1366 1
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.1366 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1111 0.1111

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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