Detailed information for compound 583001

Basic information

Technical information
  • TDR Targets ID: 583001
  • Name: 4-[4-[4-[5-[5-amino-3-(2-aminopropanoylamino) -4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy- 3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyra n-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tet rahydropyran-2-yl]oxy-3-hydroxy-5-(hydroxymet hyl)tetrahydrofuran-2-yl]oxy-N-[3-[4-(4-amino butylamino)butylamino]propyl]benzamide
  • MW: 1008.12 | Formula: C44H77N7O19
  • H donors: 16 H acceptors: 11 LogP: -6.51 Rotable bonds: 29
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCCNCCCCNCCCNC(=O)c1ccc(cc1)OC1OC(C(C1O)OC1OC(CO)C(C(C1O)OC1OC(CO)C(C(C1O)O)OC1OC(C)C(C(C1NC(=O)C(N)C)O)N)O)CO
  • InChi: 1S/C44H77N7O19/c1-21(46)39(61)51-29-31(56)28(47)22(2)63-41(29)68-36-26(19-53)66-42(33(58)32(36)57)70-38-30(55)25(18-52)65-44(35(38)60)69-37-27(20-54)67-43(34(37)59)64-24-10-8-23(9-11-24)40(62)50-17-7-16-49-15-6-5-14-48-13-4-3-12-45/h8-11,21-22,25-38,41-44,48-49,52-60H,3-7,12-20,45-47H2,1-2H3,(H,50,62)(H,51,61)
  • InChiKey: RHNHFMNAFLYIKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[4-[[4-[[5-[[5-amino-3-[(2-amino-1-oxopropyl)amino]-4-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]oxy]-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamide
  • 4-[4-[4-[5-[5-azanyl-3-(2-azanylpropanoylamino)-4-hydroxy-6-methyl-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-N-[3-[4-(4-azanylbutylamino)butylamino]propyl]benzamide
  • 4-[4-[4-[5-[3-(alanylamino)-5-amino-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-hydroxy-5-methylol-tetrahydrofuran-2-yl]oxy-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamide
  • 4-[4-[4-[5-[5-amino-3-(2-aminopropanoylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamide
  • glysperin C
  • 4-[4-[4-[5-[5-amino-3-(2-aminopropanoylamino)-4-hydroxy-6-methyl-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamide
  • 78213-54-4
  • Benzamide, 4-((O-4-amino-2-((2-amino-1-oxopropyl)amino)-2,4,6-trideoxy-alpha-D-galactopyranosyl-(1-4)-O-beta-D-galactopyranosyl-(1-3)-O-alpha-D-glucopyranosyl-(1-3)-alpha-D-ribofuranosyl)oxy)-N-(3-((4-((4-aminobutyl)amino)butyl)amino)propyl)-, (S)-

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
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0922 0.312
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0087 0.0366
Schistosoma mansoni ferritin 0.0017 0.0057 0.0237
Onchocerca volvulus 0.0035 0.0922 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0266 0.0667
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0059 0.2031 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0087 0.0366
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0059 0.2031 0.5
Leishmania major hypothetical protein, conserved 0.0035 0.0922 0.454
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1458 0.6498
Schistosoma mansoni hypothetical protein 0.0022 0.0266 0.1112
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0922 0.4383
Trichomonas vaginalis ap endonuclease, putative 0.0059 0.2031 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0059 0.2031 0.9156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1458 0.6097
Toxoplasma gondii exonuclease III APE 0.0059 0.2031 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0059 0.2031 0.1985
Schistosoma mansoni ferritin 0.0017 0.0057 0.0237
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0922 1
Schistosoma mansoni ap endonuclease 0.0059 0.2031 0.8493
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0059 0.2031 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.2762 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0922 0.4383
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0922 0.087
Mycobacterium ulcerans lipase LipD 0.0035 0.0922 0.4383
Onchocerca volvulus 0.0035 0.0922 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0922 0.1775
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0059 0.2031 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0922 0.087
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0361 0.1411
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.1028 0.4506
Schistosoma mansoni apoferritin-2 0.0017 0.0057 0.0237
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0059 0.2031 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0922 0.087
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0059 0.2031 0.9156
Schistosoma mansoni ap endonuclease 0.0059 0.2031 0.8493
Echinococcus granulosus zinc finger protein 0.0021 0.0213 0.0726
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0087 0.0142
Brugia malayi beta-lactamase 0.0035 0.0922 0.1775
Loa Loa (eye worm) hypothetical protein 0.0035 0.0922 0.312
Brugia malayi Bromodomain containing protein 0.004 0.1146 0.2673
Loa Loa (eye worm) hypothetical protein 0.0035 0.0922 0.312
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0922 0.3856
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0922 0.1775
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0059 0.2031 0.7266
Schistosoma mansoni bromodomain containing protein 0.0066 0.2391 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0922 0.4013
Schistosoma mansoni apoferritin-2 0.0017 0.0057 0.0237
Loa Loa (eye worm) hypothetical protein 0.0045 0.1363 0.4769
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0059 0.2031 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.2213 1
Trichomonas vaginalis esterase, putative 0.0035 0.0922 0.4383
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0059 0.2031 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1458 0.6097
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0059 0.2031 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0059 0.2031 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0922 0.4383
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0922 0.087
Loa Loa (eye worm) hypothetical protein 0.0035 0.0922 0.312
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0922 0.087
Mycobacterium tuberculosis Conserved protein 0.0035 0.0922 0.087
Loa Loa (eye worm) hypothetical protein 0.0035 0.0922 0.312
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0922 0.4383
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1458 0.6498
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1458 0.5124
Schistosoma mansoni zinc finger protein 0.0021 0.0213 0.0891
Trichomonas vaginalis ap endonuclease, putative 0.0059 0.2031 1
Schistosoma mansoni ferritin 0.0017 0.0057 0.0237
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0922 0.087
Loa Loa (eye worm) hypothetical protein 0.0035 0.0922 0.312
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0922 0.3856
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0922 0.4383
Brugia malayi beta-lactamase family protein 0.0035 0.0922 0.1775
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0922 0.4383
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0922 0.4383
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0361 0.1411
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0087 0.0142
Mycobacterium tuberculosis Conserved protein 0.0035 0.0922 0.087
Mycobacterium leprae Probable lipase LipE 0.0035 0.0922 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0922 0.4013
Loa Loa (eye worm) beta-lactamase 0.0035 0.0922 0.312
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1458 0.6498
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0118 0.0114
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0087 0.0142
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1458 0.6498
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0361 0.151
Brugia malayi exodeoxyribonuclease III family protein 0.0059 0.2031 0.6216
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.2213 1
Onchocerca volvulus 0.0035 0.0922 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0922 0.454
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0922 0.4383
Schistosoma mansoni ferritin light chain 0.0017 0.0057 0.0237
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.1028 0.4506
Schistosoma mansoni ferritin 0.0017 0.0057 0.0237
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1458 0.3921
Echinococcus multilocularis zinc finger protein 0.0021 0.0213 0.0726
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0087 0.0366
Mycobacterium tuberculosis Conserved protein 0.0035 0.0922 0.087
Brugia malayi Bromodomain containing protein 0.0079 0.2975 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1268 0.4413
Mycobacterium ulcerans beta-lactamase 0.0035 0.0922 0.4383
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0922 0.087
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0059 0.2031 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1458 0.6097
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0087 0.0366
Loa Loa (eye worm) hypothetical protein 0.004 0.115 0.3972
Schistosoma mansoni ferritin light chain 0.0017 0.0057 0.0237
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0922 0.454
Treponema pallidum exodeoxyribonuclease (exoA) 0.0059 0.2031 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0087 0.0142
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0922 0.454
Loa Loa (eye worm) hypothetical protein 0.0035 0.0922 0.312

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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