Detailed information for compound 1776803

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 747.727 | Formula: C34H35BrN8O3S2
  • H donors: 2 H acceptors: 5 LogP: 5.62 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1cccc(c1)NC(=O)NC(C(=O)N1CCN(CC1)c1nsc2c1cccc2)CCC(=O)N1CCN(CC1)c1nsc2c1cccc2
  • InChi: 1S/C34H35BrN8O3S2/c35-23-6-5-7-24(22-23)36-34(46)37-27(33(45)43-20-18-42(19-21-43)32-26-9-2-4-11-29(26)48-39-32)12-13-30(44)40-14-16-41(17-15-40)31-25-8-1-3-10-28(25)47-38-31/h1-11,22,27H,12-21H2,(H2,36,37,46)
  • InChiKey: ZLFBAFRGFCEXSQ-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
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0357 0.2772 0.8126
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0359 0.2791 0.2791
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0237 0.1619 0.1619
Loa Loa (eye worm) hypothetical protein 0.0186 0.1129 0.1129
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0359 0.2791 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0603 0.5134 0.5134
Entamoeba histolytica hypothetical protein, conserved 0.0359 0.2791 0.8181
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0322 0.2431 0.7127
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0135 0.0639 0.1874
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0069 0 0.5
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0069 0 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0424 0.3411 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0424 0.3411 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0359 0.2791 0.8181
Schistosoma mansoni tyrosine kinase 0.1093 0.9848 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0135 0.0639 0.1874
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0359 0.2791 0.8181
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0135 0.0639 0.1874
Echinococcus multilocularis tyrosine protein kinase ABL1 0.1109 1 1
Schistosoma mansoni hypothetical protein 0.0359 0.2791 0.2834
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0424 0.3411 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0135 0.0639 0.1874
Echinococcus multilocularis tyrosine protein kinase Abl 0.0457 0.3727 0.3727
Entamoeba histolytica hypothetical protein 0.0357 0.2772 0.8126
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0135 0.0639 0.0649
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0135 0.0639 0.111
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0359 0.2791 0.8181
Loa Loa (eye worm) TK/ABL protein kinase 0.1109 1 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0603 0.5134 0.5134
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0603 0.5134 0.5213
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0424 0.3411 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0322 0.2431 0.7127
Brugia malayi Tyrosine-protein kinase abl-1 0.0668 0.5759 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0537 0.4495 0.4495
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.1619 0.2812
Loa Loa (eye worm) hypothetical protein 0.0237 0.1619 0.1619
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0255 0.1792 0.625
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0359 0.2791 1
Trichomonas vaginalis conserved hypothetical protein 0.0359 0.2791 0.8181
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0237 0.1619 0.1619
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0359 0.2791 0.2791
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0171 0.098 0.2873
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0359 0.2791 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0135 0.0639 0.2291
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0069 0 0.5
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0069 0 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0135 0.0639 0.1874
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0408 0.3261 0.9559
Loa Loa (eye worm) phosphatidylinositol 3 0.012 0.0489 0.0489
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0424 0.3411 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0424 0.3411 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0457 0.3727 0.6472
Loa Loa (eye worm) hypothetical protein 0.0425 0.3427 0.3427
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0359 0.2791 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0179 0.106 0.1841
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0135 0.0639 0.1874
Giardia lamblia Rrm3p helicase 0.0359 0.2791 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.012 0.0489 0.1432
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0424 0.3411 0.5924
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0359 0.2791 0.8181

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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