Detailed information for compound 1436576

Basic information

Technical information
  • TDR Targets ID: 1436576
  • Name: (2R)-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-;/m1./s1
  • InChiKey: HJYWSATZDBEAOS-OGFXRTJISA-N  

Network

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Synonyms

  • EU-0100663

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Bloom syndrome, RecQ helicase-like Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0032 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 594 (Rhodamine region spectral profiling screen)] ChEMBL. No reference
Potency (functional) = 0.0032 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference

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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