Detailed information for compound 1254805

Basic information

Technical information
  • TDR Targets ID: 1254805
  • Name: (2S)-2-amino-6-(1-aminoethylideneamino)hexano ic acid hydrochloride
  • MW: 223.7 | Formula: C8H18ClN3O2
  • H donors: 3 H acceptors: 2 LogP: -2.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=N)NCCCC[C@@H](C(=O)O)N.Cl
  • InChi: 1S/C8H17N3O2.ClH/c1-6(9)11-5-3-2-4-7(10)8(12)13;/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13);1H/t7-;/m0./s1
  • InChiKey: HJYWSATZDBEAOS-FJXQXJEOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • I8021_SIGMA
  • L-Lysine omega-acetamidine hydrochloride
  • L-N6-(1-Iminoethyl)lysine hydrochloride
  • L-NIL hydrochloride

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 bloom syndrome protein 0.0026 0.7577 0.6993
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.4392 1
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.7577 0.6993
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.002 0.5403 0.4294
Entamoeba histolytica type A flavoprotein, putative 0.0012 0.2578 0.8298
Leishmania major cytochrome P450 reductase, putative 0.0029 0.8634 0.8159
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0032 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0012 0.2578 0.8298
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.3107 0.0713
Trichomonas vaginalis sulfite reductase, putative 0.0032 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 1 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0032 1 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.7577 0.6735
Brugia malayi FAD binding domain containing protein 0.002 0.5403 0.4294
Trypanosoma cruzi p450 reductase, putative 0.0032 1 1
Giardia lamblia Nitric oxide synthase, inducible 0.0029 0.8634 1
Echinococcus granulosus methionine synthase reductase 0.002 0.5403 0.4294
Plasmodium falciparum nitric oxide synthase, putative 0.0032 1 1
Brugia malayi FAD binding domain containing protein 0.0032 1 1
Entamoeba histolytica recQ family helicase, putative 0.0014 0.3107 1
Plasmodium vivax flavodoxin domain containing protein 0.0029 0.8634 0.8159
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.7577 0.6735
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0032 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0012 0.2578 0.8298
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0012 0.2578 0.079
Brugia malayi flavodoxin family protein 0.0012 0.2578 0.079
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0032 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0016 0.3945 0.8981
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0029 0.8634 0.8159
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0032 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0032 1 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0032 1 0.5
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.3107 0.0713
Schistosoma mansoni NADPH flavin oxidoreductase 0.0016 0.4036 0.2599
Toxoplasma gondii flavodoxin domain-containing protein 0.0016 0.3945 0.8981
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.1942 0.4422
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.3107 0.0713
Echinococcus multilocularis methionine synthase reductase 0.002 0.5403 0.4294
Schistosoma mansoni cytochrome P450 reductase 0.0032 1 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.1942 0.4422
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.4469 0.2548
Echinococcus multilocularis bloom syndrome protein 0.0026 0.7577 0.6993
Treponema pallidum flavodoxin 0.0012 0.2578 0.5
Loa Loa (eye worm) RecQ helicase 0.0026 0.7577 0.6993
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0032 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0032 1 1
Loa Loa (eye worm) flavodoxin family protein 0.0012 0.2578 0.079
Loa Loa (eye worm) hypothetical protein 0.0021 0.5635 0.4582
Loa Loa (eye worm) FAD binding domain-containing protein 0.0032 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0032 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0032 1 1
Giardia lamblia Hypothetical protein 0.0029 0.8634 1
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.5558 0.4487
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.6411 0.5547
Schistosoma mansoni diflavin oxidoreductase 0.0016 0.3945 0.2485
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0032 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0032 1 1
Chlamydia trachomatis sulfite reductase 0.002 0.5403 0.5
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0012 0.2578 0.079
Entamoeba histolytica type A flavoprotein, putative 0.0012 0.2578 0.8298
Entamoeba histolytica type A flavoprotein, putative 0.0012 0.2578 0.8298
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0032 1 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.3107 0.0713
Leishmania major p450 reductase, putative 0.0032 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.002 0.5403 0.4294

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.