Detailed information for compound 546022

Basic information

Technical information
  • TDR Targets ID: 546022
  • Name: 2-amino-6-[7-amino-3-(3-amino-4-hydroxy-4-oxo -butyl)-4-(4-amino-5-hydroxy-5-oxo-pentyl)-2- oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl] hexanoic acid
  • MW: 495.569 | Formula: C23H37N5O7
  • H donors: 7 H acceptors: 7 LogP: -9.32 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: NC(C(=O)O)CCc1c(CCCC(C(=O)O)N)c2CCC(c2n(c1=O)CCCCC(C(=O)O)N)N
  • InChi: 1S/C23H37N5O7/c24-15-9-7-13-12(4-3-6-17(26)22(32)33)14(8-10-18(27)23(34)35)20(29)28(19(13)15)11-2-1-5-16(25)21(30)31/h15-18H,1-11,24-27H2,(H,30,31)(H,32,33)(H,34,35)
  • InChiKey: XCVXVCOTBDDAOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-6-[7-amino-3-(3-amino-4-hydroxy-4-oxobutyl)-4-(4-amino-5-hydroxy-5-oxopentyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]hexanoic acid
  • 2-azanyl-6-[7-azanyl-3-(3-azanyl-4-hydroxy-4-oxo-butyl)-4-(4-azanyl-5-hydroxy-5-oxo-pentyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]hexanoic acid
  • 2-amino-6-[7-amino-3-(3-amino-4-hydroxy-4-keto-butyl)-4-(4-amino-5-hydroxy-5-keto-pentyl)-2-keto-6,7-dihydro-5H-1-pyrindin-1-yl]hexanoic acid
  • oxodesmosine
  • 147044-49-3

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 lysine specific demethylase 5A 0.0073 0.2126 0.2836
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.014 0.4742 0.6326
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0211 0.7496 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.004 0.0848 0.1131
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0068 0.1951 0.2603
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0023 0.0174 0.0233
Echinococcus multilocularis methyl CpG binding domain protein 2 0.004 0.0848 0.1131
Schistosoma mansoni hypothetical protein 0.0048 0.1175 0.1567
Schistosoma mansoni transcription factor LCR-F1 0.0083 0.2506 0.3343
Brugia malayi Pre-SET motif family protein 0.0035 0.064 0.0736
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0872 0.9175
Leishmania major hypothetical protein, conserved 0.0036 0.0687 0.7233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0211 0.7496 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0242 0.87 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.095 1
Brugia malayi Bromodomain containing protein 0.0176 0.6139 0.7057
Loa Loa (eye worm) hypothetical protein 0.0096 0.301 0.346
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0053 0.1349 0.18
Loa Loa (eye worm) hypothetical protein 0.0043 0.095 0.1092
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.095 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0048 0.1175 0.135
Schistosoma mansoni hypothetical protein 0.0073 0.2142 0.2858
Toxoplasma gondii ABC1 family protein 0.0043 0.095 1
Leishmania major hypothetical protein, conserved 0.003 0.0464 0.4881
Echinococcus granulosus dnaJ subfamily C 6 0.0073 0.2142 0.2858
Loa Loa (eye worm) hypothetical protein 0.0043 0.095 0.1092
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.095 0.1268
Mycobacterium ulcerans beta-lactamase 0.0043 0.095 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0211 0.7496 1
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0096 0.3027 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0211 0.7496 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0075 0.2197 0.2931
Onchocerca volvulus 0.0043 0.095 0.0332
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0464 0.4881
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.095 0.1092
Loa Loa (eye worm) hypothetical protein 0.0043 0.095 0.1092
Schistosoma mansoni methyl-cpg binding protein mbd 0.004 0.0848 0.1131
Mycobacterium leprae Probable lipase LipE 0.0043 0.095 0.5
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0023 0.0174 0.0233
Loa Loa (eye worm) hypothetical protein 0.0096 0.3027 0.348
Schistosoma mansoni hypothetical protein 0.0036 0.0687 0.0917
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0872 0.9175
Loa Loa (eye worm) hypothetical protein 0.01 0.3185 0.3661
Brugia malayi PHD-finger family protein 0.0058 0.1565 0.1799
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0464 0.4881
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0084 0.2572 0.343
Onchocerca volvulus 0.0043 0.095 0.0332
Trichomonas vaginalis protein kinase inhibitor, putative 0.0073 0.2142 0.1317
Brugia malayi beta-lactamase 0.0043 0.095 0.1092
Brugia malayi hypothetical protein 0.0019 0.0048 0.0055
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.095 0.1268
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.095 0.1268
Loa Loa (eye worm) bromodomain containing protein 0.0041 0.0904 0.1039
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0464 0.5319
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0075 0.2197 0.2931
Brugia malayi beta-lactamase family protein 0.0043 0.095 0.1092
Schistosoma mansoni bromodomain containing protein 0.0148 0.5069 0.6762
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0872 0.9175
Trichomonas vaginalis set domain proteins, putative 0.0275 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.014 0.4742 0.6326
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.064 0.0854
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0211 0.7496 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.095 0.5
Echinococcus multilocularis zinc finger protein 0.0046 0.1078 0.1438
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0464 0.4881
Plasmodium vivax SET domain protein, putative 0.0035 0.064 0.6734
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.0872 0.1163
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0211 0.7496 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0872 0.9175
Echinococcus multilocularis lysine specific demethylase 5A 0.0068 0.1951 0.2603
Loa Loa (eye worm) hypothetical protein 0.0043 0.095 0.1092
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0075 0.2197 0.2931
Schistosoma mansoni zinc finger protein 0.0046 0.1078 0.1438
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.0872 0.1002
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0872 0.9175
Brugia malayi Bromodomain containing protein 0.009 0.2788 0.3204
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.095 0.1092
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2126 0.2444
Mycobacterium ulcerans hypothetical protein 0.0043 0.095 0.5
Loa Loa (eye worm) DnaJ domain-containing protein 0.0073 0.2142 0.2462
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0211 0.7496 0.8617
Leishmania major hypothetical protein, conserved 0.0041 0.0872 0.9175
Echinococcus multilocularis dnaJ subfamily C 6 0.0073 0.2142 0.2858
Mycobacterium leprae conserved hypothetical protein 0.0043 0.095 0.5
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0096 0.3027 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.095 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.2126 0.2836
Brugia malayi Pre-SET motif family protein 0.0242 0.87 1
Brugia malayi jmjC domain containing protein 0.0073 0.2126 0.2444
Brugia malayi Augmenter of liver regeneration 0.0041 0.0872 0.1002
Loa Loa (eye worm) hypothetical protein 0.003 0.0464 0.0533
Loa Loa (eye worm) hypothetical protein 0.009 0.2794 0.3212
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.2126 0.2836
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0872 0.9175
Schistosoma mansoni methyl-cpg binding protein mbd 0.004 0.0848 0.1131
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0464 0.5319
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.0872 0.1163
Leishmania major hypothetical protein, conserved 0.0043 0.095 1
Brugia malayi beta-lactamase family protein 0.0043 0.095 0.1092
Brugia malayi jmjC domain containing protein 0.0068 0.1951 0.2243
Brugia malayi hypothetical protein 0.0083 0.2506 0.288
Schistosoma mansoni zinc finger protein 0.0036 0.0687 0.0917
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.095 1
Onchocerca volvulus 0.0043 0.095 0.0332
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.095 0.1268
Brugia malayi hypothetical protein 0.003 0.0464 0.0533
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0211 0.7496 0.8617
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0211 0.7496 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.095 0.1092
Schistosoma mansoni hypothetical protein 0.0083 0.2506 0.3343
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0053 0.1349 0.18
Echinococcus granulosus fetal alzheimer antigen falz 0.0053 0.1349 0.18
Mycobacterium ulcerans lipase LipD 0.0043 0.095 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.059 0.0788
Schistosoma mansoni jumonji domain containing protein 0.0068 0.1951 0.2603
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0464 0.4881
Loa Loa (eye worm) hypothetical protein 0.0043 0.095 0.1092
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0872 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.5749 0.6608
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0272 0.9896 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0872 0.9175
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.064 0.0854
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0084 0.2572 0.343
Loa Loa (eye worm) beta-lactamase 0.0043 0.095 0.1092
Trypanosoma cruzi ISWI complex protein 0.0036 0.0687 0.7233
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0083 0.2506 0.3343
Trypanosoma brucei ISWI complex protein 0.0036 0.0687 0.7233
Echinococcus granulosus histone lysine methyltransferase setb 0.0075 0.2197 0.2931
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.064 0.0854
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0068 0.1951 0.2603
Brugia malayi DnaJ domain containing protein 0.0073 0.2142 0.2462
Trypanosoma cruzi ISWI complex protein 0.0036 0.0687 0.7233
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0464 0.4881
Echinococcus granulosus zinc finger protein 0.0046 0.1078 0.1438
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.064 0.6734
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0083 0.2506 0.3343
Plasmodium vivax hypothetical protein, conserved 0.0043 0.095 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.2197 0.2526

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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