Detailed information for compound 1672770

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 692.934 | Formula: C38H60N8O4
  • H donors: 6 H acceptors: 4 LogP: 1.81 Rotable bonds: 28
    Rule of 5 violations (Lipinski): 3
  • SMILES: NCCCCNCCCCNCCCCn1c(=O)c2ccc3c4c2c(c1=O)ccc4c(=O)n(c3=O)CCCCNCCCCNCCCCN
  • InChi: 1S/C38H60N8O4/c39-17-1-3-19-41-21-5-7-23-43-25-9-11-27-45-35(47)29-13-15-31-34-32(16-14-30(33(29)34)36(45)48)38(50)46(37(31)49)28-12-10-26-44-24-8-6-22-42-20-4-2-18-40/h13-16,41-44H,1-12,17-28,39-40H2
  • InChiKey: JWVDQCRFMXNDCD-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 inositol monophosphatase 1 0.0037 0.0153 0.0153
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1562 0.1537
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0083 0.1291 0.1265
Trichomonas vaginalis set domain proteins, putative 0.0255 0.5564 0.5495
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1562 0.1537
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0083 0.1291 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.0153 0.0124
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0433 1 1
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0581 0.0581
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0433 1 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0433 1 1
Echinococcus multilocularis geminin 0.018 0.3694 0.3675
Onchocerca volvulus 0.0255 0.5564 1
Brugia malayi Inositol-1 0.0037 0.0153 0.0124
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0139 0.2696 0.2583
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0433 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0153 0.0124
Schistosoma mansoni hypothetical protein 0.018 0.3694 0.3675
Brugia malayi Pre-SET motif family protein 0.0224 0.4795 0.478
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0083 0.1291 0.1291
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0433 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.1291 0.1156
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0433 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.1291 0.1265
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1562 0.1562
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0144 0.28 0.2688
Schistosoma mansoni hypothetical protein 0.018 0.3694 0.3675
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0283 0.6264 0.6206
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0581 0.0553
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0581 0.4253
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0433 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0083 0.1291 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0083 0.1291 0.1265
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0433 1 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.1562 0.1537
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1562 0.1562
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.1291 0.1156
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0029 0.0029
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0153 0.5
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
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0224 0.4795 0.478
Schistosoma mansoni inositol monophosphatase 0.0037 0.0153 0.0124
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0283 0.6264 0.6253
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0433 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1562 0.1537
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0433 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1291 0.1265
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.1562 0.1537
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0153 0.0124
Echinococcus granulosus geminin 0.018 0.3694 0.3694
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0433 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.0581 0.1804
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.0581 0.1804
Brugia malayi Probable ClpP-like protease 0.0083 0.1291 0.1265
Loa Loa (eye worm) inositol-1 0.0037 0.0153 0.0124
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.1291 0.1265
Schistosoma mansoni peptidase Clp (S14 family) 0.0083 0.1291 0.1265
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0433 1 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.015 0.2967 1

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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