Detailed information for compound 919671

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 954.088 | Formula: C46H63N15O8
  • H donors: 11 H acceptors: 9 LogP: -1.53 Rotable bonds: 35
    Rule of 5 violations (Lipinski): 3
  • SMILES: NC(=N)NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc1ccncc1)Cc1ccccc1)Cc1ccccc1
  • InChi: 1S/C46H63N15O8/c47-37(62)27-33(39(48)64)59-40(65)31(14-7-19-54-45(49)50)57-43(68)36-16-9-23-61(36)44(69)32(15-8-20-55-46(51)52)58-42(67)35(25-29-12-5-2-6-13-29)60-41(66)34(24-28-10-3-1-4-11-28)56-38(63)26-30-17-21-53-22-18-30/h1-6,10-13,17-18,21-22,31-36H,7-9,14-16,19-20,23-27H2,(H2,47,62)(H2,48,64)(H,56,63)(H,57,68)(H,58,67)(H,59,65)(H,60,66)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34-,35-,36-/m0/s1
  • InChiKey: LSVODEJPQDECSW-NGTAMTFRSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 multilocularis muscleblind protein 1 0.0145 0.6031 0.6031
Schistosoma mansoni survival motor neuron protein 0.0047 0.1421 0.2046
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0372 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0028 0.0028
Schistosoma mansoni hypothetical protein 0.0047 0.1421 0.2046
Brugia malayi MH2 domain containing protein 0.0116 0.4664 0.4466
Schistosoma mansoni jun-related protein 0.0066 0.2333 0.3359
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0027 0.0498 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0372 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.1944 0.1944
Loa Loa (eye worm) hypothetical protein 0.0037 0.0972 0.0972
Loa Loa (eye worm) hypothetical protein 0.0229 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0079 0.2945 0.2945
Echinococcus multilocularis jun protein 0.0081 0.305 0.305
Giardia lamblia Rrm3p helicase 0.0027 0.0498 0.5
Onchocerca volvulus 0.0064 0.2228 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.086 0.086
Entamoeba histolytica DNA repair and recombination protein, putative 0.0027 0.0498 0.5
Schistosoma mansoni zinc finger protein 0.0019 0.0115 0.0166
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0163 0.0163
Schistosoma mansoni hypothetical protein 0.0027 0.0498 0.0717
Brugia malayi bZIP transcription factor family protein 0.0081 0.305 0.2792
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0027 0.0498 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.6031 0.6031
Brugia malayi Bromodomain containing protein 0.0073 0.2641 0.2368
Echinococcus multilocularis zinc finger protein 0.0019 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0145 0.6031 0.6031
Echinococcus granulosus zinc finger protein 0.0019 0.0115 0.0115
Brugia malayi hypothetical protein 0.0024 0.0372 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0498 0.5
Schistosoma mansoni hypothetical protein 0.002 0.0163 0.0235
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.025 0.025
Schistosoma mansoni hypothetical protein 0.0164 0.6946 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1421 0.1102
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0027 0.0498 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0027 0.0498 1
Schistosoma mansoni hypothetical protein 0.0066 0.2333 0.3359
Echinococcus granulosus geminin 0.0164 0.6946 0.6946
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0081 0.305 0.305
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0027 0.0498 0.0498
Entamoeba histolytica hypothetical protein, conserved 0.0027 0.0498 0.5
Brugia malayi hypothetical protein 0.0064 0.2228 0.194
Echinococcus granulosus muscleblind protein 0.0145 0.6031 0.6031
Echinococcus granulosus jun protein 0.0081 0.305 0.305
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.086 0.086
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0081 0.305 0.305
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0027 0.0498 0.0498
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.1944 0.1944
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0372 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0027 0.0498 1
Echinococcus granulosus survival motor neuron protein 1 0.0229 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.2446 0.2446
Loa Loa (eye worm) hypothetical protein 0.0041 0.1166 0.1166
Echinococcus multilocularis geminin 0.0164 0.6946 0.6946
Loa Loa (eye worm) hypothetical protein 0.0039 0.1079 0.1079
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0027 0.0498 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.025 0.025
Brugia malayi Bromodomain containing protein 0.0037 0.0968 0.0633
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0027 0.0498 1
Echinococcus multilocularis muscleblind protein 0.0145 0.6031 0.6031
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.4664 0.4664
Schistosoma mansoni bromodomain containing protein 0.0061 0.2107 0.3033
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.4664 0.4664
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.025 0.036
Schistosoma mansoni hypothetical protein 0.0164 0.6946 1
Brugia malayi Muscleblind-like protein 0.0145 0.6031 0.5883
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0372 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0229 1 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.