Detailed information for compound 1160448

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 633.726 | Formula: C25H39N13O5S
  • H donors: 6 H acceptors: 8 LogP: -1.43 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 3
  • SMILES: O=C(N[C@H]1CCCN(C1O)C(=N)N)CNC(=O)[C@H](NS(=O)(=O)Cc1ccccc1n1cnnn1)CC1CCN(CC1)C(=N)N
  • InChi: 1S/C25H39N13O5S/c26-24(27)36-10-7-16(8-11-36)12-19(22(40)30-13-21(39)32-18-5-3-9-37(23(18)41)25(28)29)33-44(42,43)14-17-4-1-2-6-20(17)38-15-31-34-35-38/h1-2,4,6,15-16,18-19,23,33,41H,3,5,7-14H2,(H3,26,27)(H3,28,29)(H,30,40)(H,32,39)/t18-,19+,23?/m0/s1
  • InChiKey: DPHOZKUFKPCNOS-HXIJRHRVSA-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 puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Schistosoma mansoni cpg binding protein 0.0031 0.0468 0.2161
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0147 0.0145
Echinococcus multilocularis GPCR, family 2 0.0016 0.0147 0.0145
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0349 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.1945 0.1943
Loa Loa (eye worm) hypothetical protein 0.0025 0.0349 0.0347
Loa Loa (eye worm) hypothetical protein 0.0016 0.0147 0.0145
Brugia malayi hypothetical protein 0.0036 0.059 0.059
Echinococcus multilocularis expressed conserved protein 0.0093 0.1815 0.1813
Schistosoma mansoni hypothetical protein 0.0016 0.0147 0.0497
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0147 0.0145
Mycobacterium ulcerans aminopeptidase N PepN 0.0012 0.0072 0.5
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0726 0.0724
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0539 0.0539
Loa Loa (eye worm) hypothetical protein 0.0034 0.0539 0.0537
Echinococcus granulosus leukotriene A 4 hydrolase 0.0012 0.0072 0.007
Toxoplasma gondii aminopeptidase n, putative 0.0309 0.6466 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0433 0.043
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0012 0.0072 0.0107
Echinococcus granulosus survival motor neuron protein 1 0.0473 1 1
Loa Loa (eye worm) TATA binding protein associated factor 0.0012 0.0072 0.007
Brugia malayi Peptidase family M1 containing protein 0.0012 0.0072 0.0072
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0726 0.0724
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0726 0.0724
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.059 0.2794
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0349 0.0433
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0012 0.0072 0.007
Schistosoma mansoni hypothetical protein 0.0041 0.0693 0.3329
Leishmania major hypothetical protein, conserved 0.0025 0.0349 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.1945 0.1943
Loa Loa (eye worm) hypothetical protein 0.005 0.0877 0.0875
Loa Loa (eye worm) aminopeptidase N 0.0012 0.0072 0.007
Loa Loa (eye worm) peptidase family M1 containing protein 0.0012 0.0072 0.007
Entamoeba histolytica hypothetical protein 0.0036 0.059 0.2764
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0147 0.0145
Brugia malayi TATA binding protein associated factor 0.0012 0.0072 0.0072
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0012 0.0072 0.007
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.2861 0.2859
Schistosoma mansoni hypothetical protein 0.0041 0.0693 0.3329
Schistosoma mansoni hypothetical protein 0.0036 0.059 0.2794
Loa Loa (eye worm) hypothetical protein 0.0099 0.1945 0.1943
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.059 0.0588
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0052 0.0049
Schistosoma mansoni cpg binding protein 0.0029 0.0433 0.1977
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.059 0.0588
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Onchocerca volvulus 0.0096 0.1888 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.1978 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0932 0.093
Echinococcus multilocularis survival motor neuron protein 1 0.0473 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1131 0.5602
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.1945 0.1945
Echinococcus granulosus cpg binding protein 0.0031 0.0468 0.0466
Echinococcus granulosus aminopeptidase N 0.0012 0.0072 0.007
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0012 0.0072 0.007
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0349 1
Brugia malayi hypothetical protein 0.0025 0.0349 0.0349
Schistosoma mansoni hypothetical protein 0.0041 0.0693 0.3329
Toxoplasma gondii aminopeptidase N protein 0.0309 0.6466 1
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0726 0.0724
Echinococcus granulosus GPCR family 2 0.0016 0.0147 0.0145
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0012 0.0072 0.0107
Brugia malayi hypothetical protein 0.0012 0.0072 0.0072
Echinococcus granulosus expressed conserved protein 0.0093 0.1815 0.1813
Schistosoma mansoni hypothetical protein 0.0016 0.0147 0.0497
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0147 0.0147
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.1888 0.1888
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Schistosoma mansoni cpg binding protein 0.0031 0.0468 0.2161
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.099 0.1047
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0052 0.0049
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.2861 0.2859
Schistosoma mansoni patched 1 0.0043 0.0726 0.35
Brugia malayi Peptidase family M1 containing protein 0.0012 0.0072 0.0072
Echinococcus multilocularis cpg binding protein 0.0031 0.0468 0.0466
Schistosoma mansoni hypothetical protein 0.0016 0.0147 0.0497
Schistosoma mansoni survival motor neuron protein 0.0096 0.1888 0.9535
Schistosoma mansoni hypothetical protein 0.0016 0.0147 0.0497
Brugia malayi hypothetical protein 0.0012 0.0072 0.0072
Echinococcus multilocularis protein dispatched 1 0.0049 0.0855 0.0853
Schistosoma mansoni aminopeptidase A (M01 family) 0.0012 0.0072 0.0107
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0147 0.0147
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0349 0.0433
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0349 1
Mycobacterium ulcerans aminopeptidase N PepN 0.0012 0.0072 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0877 0.0877
Toxoplasma gondii aminopeptidase N, putative 0.0309 0.6466 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0433 0.0433
Schistosoma mansoni hypothetical protein 0.0041 0.0693 0.3329
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0147 0.0145
Brugia malayi CHE-14 protein 0.0043 0.0726 0.0726
Entamoeba histolytica hypothetical protein 0.0036 0.059 0.2764
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0012 0.0072 0.0107
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.007
Brugia malayi Peptidase family M1 containing protein 0.0012 0.0072 0.0072
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.007
Echinococcus multilocularis aminopeptidase N 0.0012 0.0072 0.007
Brugia malayi hypothetical protein 0.0016 0.0158 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0726 1
Onchocerca volvulus 0.0029 0.0433 0.1983
Loa Loa (eye worm) hypothetical protein 0.0043 0.0726 0.0724
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0309 0.6466 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.1945 1
Loa Loa (eye worm) hypothetical protein 0.0473 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0877 0.0875
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0147 0.0145
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0309 0.6466 1
Echinococcus multilocularis protein patched 0.0043 0.0726 0.0724
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.007
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0012 0.0072 0.0107
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0877 0.0877
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0349 0.0433
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0012 0.0072 0.007
Schistosoma mansoni hypothetical protein 0.0034 0.0539 0.2531
Entamoeba histolytica hypothetical protein 0.0036 0.059 0.2764
Schistosoma mansoni hypothetical protein 0.0096 0.1888 0.9535
Entamoeba histolytica hypothetical protein 0.0036 0.059 0.2764

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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