Detailed information for compound 562356

Basic information

Technical information
  • TDR Targets ID: 562356
  • Name: gallium N-[3-[4,16-bis[3-[acetyl(oxido)amino] propyl]-2,5,8,11,14,17-hexaoxo-3,6,9,12,15,18 -hexazacyclooctadec-1-yl]propyl]-N-oxido-acet amide
  • MW: 757.422 | Formula: C27H45GaN9O12
  • H donors: 6 H acceptors: 12 LogP: -4.9 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 4
  • SMILES: O=C1NCC(=O)NCC(=O)NC(CCCN(C(=O)C)[O-])C(=O)NC(C(=O)NC(C(=O)NC1)CCCN(C(=O)C)[O-])CCCN(C(=O)C)[O-].[GaH3+3]
  • InChi: 1S/C27H42N9O12.Ga/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39;/h19-21H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44);/q-3;+3
  • InChiKey: PTVOLFPTQKGIHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • gallium N-[3-[4,16-bis[3-[acetyl(oxido)amino]propyl]-2,5,8,11,14,17-hexaoxo-3,6,9,12,15,18-hexazacyclooctadec-1-yl]propyl]-N-oxidoacetamide
  • gallium N-[3-[4,16-bis[3-[ethanoyl(oxidanidyl)amino]propyl]-2,5,8,11,14,17-hexaoxo-3,6,9,12,15,18-hexazacyclooctadec-1-yl]propyl]-N-oxidanidyl-ethanamide
  • gallium N-[3-[4,16-bis[3-[acetyl(oxido)amino]propyl]-2,5,8,11,14,17-hexaketo-3,6,9,12,15,18-hexazacyclooctadec-1-yl]propyl]-N-oxido-acetamide
  • gallichrome
  • gallium N-[3-[5,17-bis[3-(acetyl-oxidoamino)propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide
  • gallium N-[3-[5,17-bis[3-(acetyl-oxido-amino)propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxido-acetamide
  • gallium N-[3-[5,17-bis[3-(acetyl-oxido-amino)propyl]-3,6,9,12,15,18-hexaketo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxido-acetamide
  • gallium N-[3-[5,17-bis[3-(ethanoyl-oxido-amino)propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxido-ethanamide
  • 39000-29-8

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 multilocularis musashi 0.0011 0.0248 0.0264
Loa Loa (eye worm) hypothetical protein 0.001 0.0233 0.0248
Echinococcus granulosus small conductance calcium activated potassium 0.0129 0.9402 1
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0039 0.2436 0.2436
Loa Loa (eye worm) hypothetical protein 0.0048 0.3164 0.3366
Schistosoma mansoni calcium-activated potassium channel 0.0102 0.7328 0.7794
Brugia malayi intermediate filament protein 0.0011 0.0248 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0007 0 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0007 0 0.5
Echinococcus granulosus intermediate filament protein 0.0011 0.0248 0.0264
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0007 0 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0007 0 0.5
Schistosoma mansoni intermediate filament proteins 0.0011 0.0248 0.0264
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0007 0 0.5
Schistosoma mansoni hypothetical protein 0.0129 0.9402 1
Schistosoma mansoni calcium-activated potassium channel 0.0129 0.9402 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.1098 0.1167
Loa Loa (eye worm) hypothetical protein 0.0129 0.9402 1
Echinococcus multilocularis small conductance calcium activated potassium 0.0129 0.9402 1
Onchocerca volvulus 0.0011 0.0248 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0007 0 0.5
Echinococcus granulosus geminin 0.0067 0.4581 0.4872
Loa Loa (eye worm) hypothetical protein 0.0054 0.3591 0.382
Schistosoma mansoni lamin 0.0011 0.0248 0.0264
Giardia lamblia DNA repair protein RAD52 0.0136 1 1
Echinococcus multilocularis lamin dm0 0.0011 0.0248 0.0264
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0007 0 0.5
Schistosoma mansoni lamin 0.0011 0.0248 0.0264
Echinococcus multilocularis lamin 0.0011 0.0248 0.0264
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0007 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0007 0 0.5
Toxoplasma gondii exonuclease III APE 0.0007 0 0.5
Schistosoma mansoni hypothetical protein 0.0067 0.4581 0.4872
Entamoeba histolytica hypothetical protein 0.0039 0.2436 0.2436
Brugia malayi Intermediate filament tail domain containing protein 0.0011 0.0248 1
Echinococcus granulosus lamin 0.0011 0.0248 0.0264
Schistosoma mansoni hypothetical protein 0.0067 0.4581 0.4872
Onchocerca volvulus 0.0011 0.0248 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0007 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0248 0.0264
Echinococcus multilocularis geminin 0.0067 0.4581 0.4872
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0011 0.0248 0.0264
Loa Loa (eye worm) intermediate filament protein 0.0011 0.0248 0.0264
Trichomonas vaginalis ap endonuclease, putative 0.0007 0 0.5
Echinococcus granulosus lamin dm0 0.0011 0.0248 0.0264

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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