Detailed information for compound 584102

Basic information

Technical information
  • TDR Targets ID: 584102
  • Name: (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino ]-5-guanidino-pentanoic acid
  • MW: 288.304 | Formula: C10H20N6O4
  • H donors: 6 H acceptors: 4 LogP: -5.51 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCC(=O)NCC(=O)N[C@H](C(=O)O)CCCN=C(N)N
  • InChi: 1S/C10H20N6O4/c11-4-7(17)15-5-8(18)16-6(9(19)20)2-1-3-14-10(12)13/h6H,1-5,11H2,(H,15,17)(H,16,18)(H,19,20)(H4,12,13,14)/t6-/m0/s1
  • InChiKey: HQRHFUYMGCHHJS-LURJTMIESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-5-guanidinopentanoic acid
  • (2S)-2-[2-(2-azanylethanoylamino)ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid
  • (2S)-2-[[2-(glycylamino)acetyl]amino]-5-guanidino-valeric acid
  • (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
  • glycyl-glycyl-argininal
  • (2S)-2-[2-(2-aminoethanoylamino)ethanoylamino]-5-(diaminomethylideneamino)pentanoic acid
  • 80434-79-3
  • Glycylglycyl-L-argininal
  • Gly-gly-arg
  • Glycinamide, glycyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-, (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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0598 0.0598
Loa Loa (eye worm) hypothetical protein 0.0207 0.4782 0.4782
Brugia malayi Pre-SET motif family protein 0.0208 0.4817 0.4817
Leishmania major ATP-dependent phosphofructokinase 0.0108 0.2169 0.2169
Mycobacterium ulcerans 6-phosphofructokinase 0.0108 0.2169 1
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.2169 0.389
Schistosoma mansoni 6-phosphofructokinase 0.0108 0.2169 0.3782
Brugia malayi Inositol-1 0.0042 0.0434 0.0434
Trichomonas vaginalis protein kinase inhibitor, putative 0.0065 0.1036 0.1858
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0115 0.0201
Loa Loa (eye worm) inositol-1 0.0042 0.0434 0.0434
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0115 0.0201
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0095 1
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.2169 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0434 0.0778
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0434 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0095 0.8286
Leishmania major C-8 sterol isomerase-like protein 0.0405 1 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0405 1 1
Onchocerca volvulus 0.0237 0.5575 0.9715
Echinococcus multilocularis dnaJ subfamily C 6 0.0065 0.1036 0.1806
Schistosoma mansoni 6-phosphofructokinase 0.0108 0.2169 0.3782
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0598 0.1043
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0115 0.0201
Brugia malayi phosphofructokinase 0.0108 0.2169 0.2169
Loa Loa (eye worm) hypothetical protein 0.0405 1 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0434 0.2001
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0115 0.0201
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0434 0.0757
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0108 0.2169 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0095 0.0171
Echinococcus multilocularis vesicular acetylcholine transporter 0.0243 0.5735 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0108 0.2169 0.2169
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0598 0.1043
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.4817 0.4817
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0095 0.8286
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0115 0.0201
Brugia malayi 6-phosphofructokinase 0.0108 0.2169 0.2169
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0095 0.5
Brugia malayi Pre-SET motif family protein 0.003 0.0115 0.0115
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0115 0.0201
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0405 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0115 0.2652
Loa Loa (eye worm) 6-phosphofructokinase 0.0108 0.2169 0.2169
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0095 0.044
Schistosoma mansoni vesicular acetylcholine transporter 0.0243 0.5735 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0108 0.2169 0.2169
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0095 1
Schistosoma mansoni hypothetical protein 0.0065 0.1036 0.1806
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0434 0.0778
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0434 0.0434
Schistosoma mansoni inositol monophosphatase 0.0042 0.0434 0.0757
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.2169 0.389
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0095 0.0171
Trichomonas vaginalis set domain proteins, putative 0.0237 0.5575 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0434 0.5
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0095 0.2197
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0095 0.2197
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0095 0.2197
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0598 0.1043
Brugia malayi 6-phosphofructokinase 0.0108 0.2169 0.2169
Loa Loa (eye worm) hypothetical protein 0.003 0.0115 0.0115
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0598 0.1043
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0598 0.1043
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0086 0.015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0598 0.1043
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.2169 0.389
Echinococcus granulosus vesicular acetylcholine transporter 0.0243 0.5735 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0598 0.1043
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0434 0.0434
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0243 0.5735 0.5735
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0095 0.0171
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0108 0.2169 0.2169
Trichomonas vaginalis phosphofructokinase, putative 0.0108 0.2169 0.389
Plasmodium vivax SET domain protein, putative 0.003 0.0115 1
Brugia malayi vesicular acetylcholine transporter unc-17 0.0243 0.5735 0.5735
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0598 0.0598
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0095 0.0171
Loa Loa (eye worm) phosphofructokinase 0.0108 0.2169 0.2169
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0434 0.0778
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0095 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0095 0.5
Echinococcus multilocularis 6 phosphofructokinase 0.0108 0.2169 0.3782
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.2169 1
Entamoeba histolytica phosphofructokinase, putative 0.0108 0.2169 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0434 0.0434
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0115 0.0201
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0095 0.0171
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0243 0.5735 1
Loa Loa (eye worm) DnaJ domain-containing protein 0.0065 0.1036 0.1036
Schistosoma mansoni inositol monophosphatase 0.0042 0.0434 0.0757
Brugia malayi DnaJ domain containing protein 0.0065 0.1036 0.1036
Echinococcus granulosus dnaJ subfamily C 6 0.0065 0.1036 0.1806
Echinococcus granulosus 6 phosphofructokinase 0.0108 0.2169 0.3782
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0095 0.0171
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0434 0.0434
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0434 0.0757
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0108 0.2169 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0095 0.0171
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0108 0.2169 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.

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