Detailed information for compound 1146869

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.552 | Formula: C24H34N4O2
  • H donors: 3 H acceptors: 2 LogP: 2.49 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCCNCCCCNCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
  • InChi: 1S/C24H34N4O2/c25-13-1-2-14-26-15-3-4-16-27-17-5-6-18-28-23(29)20-11-7-9-19-10-8-12-21(22(19)20)24(28)30/h7-12,26-27H,1-6,13-18,25H2
  • InChiKey: JKTDJPJULXOHFS-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
Brugia malayi Probable ClpP-like protease 0.0083 0.1291 0.1265
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0144 0.28 0.2688
Schistosoma mansoni inositol monophosphatase 0.0037 0.0153 0.0124
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.0581 0.1804
Schistosoma mansoni inositol monophosphatase 0.0037 0.0153 0.0124
Echinococcus multilocularis geminin 0.018 0.3694 0.3675
Echinococcus granulosus geminin 0.018 0.3694 0.3694
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.1291 0.1265
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.1562 0.1537
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0433 1 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1562 0.1562
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0283 0.6264 0.6253
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0433 1 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0153 0.0124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1562 0.1537
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0581 0.0553
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0433 1 1
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Brugia malayi Pre-SET motif family protein 0.0224 0.4795 0.478
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.1291 0.1265
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0433 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0083 0.1291 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0581 0.4253
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0083 0.1291 0.1291
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0153 0.0153
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0433 1 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0433 1 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0433 1 1
Onchocerca volvulus 0.0255 0.5564 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.015 0.2967 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.4795 0.478
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0581 0.0581
Schistosoma mansoni hypothetical protein 0.018 0.3694 0.3675
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1562 0.1537
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0433 1 0.5
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.1291 0.1156
Loa Loa (eye worm) inositol-1 0.0037 0.0153 0.0124
Trichomonas vaginalis set domain proteins, putative 0.0255 0.5564 0.5495
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1562 0.1537
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1562 0.1537
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.0581 0.1804
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0283 0.6264 0.6206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1562 0.1537
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0153 0.5
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0433 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.1562 0.1537
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.1291 0.1156
Schistosoma mansoni peptidase Clp (S14 family) 0.0083 0.1291 0.1265
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0083 0.1291 0.1265
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0433 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1562 0.1562
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0029 0.0029
Schistosoma mansoni hypothetical protein 0.018 0.3694 0.3675
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0083 0.1291 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0083 0.1291 0.1265
Brugia malayi Inositol-1 0.0037 0.0153 0.0124
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0153 0.0124
Loa Loa (eye worm) hypothetical protein 0.0083 0.1291 0.1265
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0433 1 1
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0139 0.2696 0.2583

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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