Detailed information for compound 1056161

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 615.698 | Formula: C29H37N5O8S
  • H donors: 3 H acceptors: 6 LogP: 2.36 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H]1Oc2c(cccc2C(=O)N(C[C@H]1C)[C@H](CO)C)NC(=O)Nc1c(C)noc1C)C
  • InChi: 1S/C29H37N5O8S/c1-17-14-34(18(2)16-35)28(36)23-8-7-9-24(30-29(37)31-26-19(3)32-42-20(26)4)27(23)41-25(17)15-33(5)43(38,39)22-12-10-21(40-6)11-13-22/h7-13,17-18,25,35H,14-16H2,1-6H3,(H2,30,31,37)/t17-,18+,25+/m1/s1
  • InChiKey: YFTRPLDSKVYZRV-UZEJHQAJSA-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
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0008 0.011
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0019 1
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0033 0.0198
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0014 1
Echinococcus granulosus geminin 0.0205 0.0286 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0008 0.011
Schistosoma mansoni Smad4 0.001 0.0005 0.0188
Loa Loa (eye worm) hypothetical protein 0.6946 1 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.0201 0.0201
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0019 0.5
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.2729 0.3924 1
Schistosoma mansoni hypothetical protein 0.0205 0.0286 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0008 0.0008
Loa Loa (eye worm) RecQ helicase 0.0029 0.0033 0.0033
Leishmania major malonyl-coa decarboxylase-like protein 0.2729 0.3924 1
Loa Loa (eye worm) Smad1 0.001 0.0005 0.0005
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0008 0.0022
Echinococcus multilocularis geminin 0.0205 0.0286 0.201
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0199 0.0199
Treponema pallidum ATP-dependent DNA helicase 0.0006 0.0000000000071097 0.5
Schistosoma mansoni DNA helicase recq5 0.0012 0.0008 0.0296
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0033 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0008 0.4422
Schistosoma mansoni DNA helicase recq1 0.0012 0.0008 0.0296
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0005 0.0005
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.1402 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0005 0.0188
Schistosoma mansoni smad 0.001 0.0005 0.0188
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0033 0.0028
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0008
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0008 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0.0005 0.0188
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0005 0.0188
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0005 0.0005
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.6946 1 0.5
Echinococcus granulosus bloom syndrome protein 0.0029 0.0033 0.0984
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0008 0.0003
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0199 0.0199
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0024 0.0846
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0028 1
Schistosoma mansoni hypothetical protein 0.0205 0.0286 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0008 0.0003
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0014 0.0034
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.2729 0.3924 1
Brugia malayi MH2 domain containing protein 0.0144 0.0199 0.0194
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0033 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0008 0.4422
Schistosoma mansoni smad1 5 8 and 0.001 0.0005 0.0188
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.2729 0.3924 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0008 0.0022

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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