Detailed information for compound 1718556

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 303.316 | Formula: C14H17N5O3
  • H donors: 3 H acceptors: 3 LogP: -1.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cnc2n(c1=O)ccc(c2)C)NCCNC(=O)C
  • InChi: 1S/C14H17N5O3/c1-9-3-6-19-12(7-9)17-8-11(13(19)21)18-14(22)16-5-4-15-10(2)20/h3,6-8H,4-5H2,1-2H3,(H,15,20)(H2,16,18,22)
  • InChiKey: NMAQFDGWEZZHSL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium vivax ornithine aminotransferase, putative 0.0023 0.0798 0.4463
Plasmodium falciparum ornithine aminotransferase 0.0023 0.0798 0.4929
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.1787 1
Toxoplasma gondii Erv1 / Alr family protein 0.0033 0.1276 0.2486
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1781 0.2677
Mycobacterium ulcerans hypothetical protein 0.0161 0.7065 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0023 0.0798 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.0798 0.1198
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0441 0.0683
Schistosoma mansoni bromodomain containing protein 0.0007 0.0084 0.0127
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0033 0.1276 0.7885
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0381 0.0476
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.1787 0.2765
Brugia malayi Bromodomain containing protein 0.0007 0.0084 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2773 0.4167
Schistosoma mansoni zinc finger protein 0.0007 0.0084 0.0127
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0033 0.1276 0.1917
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0381 0.0476
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.2773 0.2773
Loa Loa (eye worm) hepatopoietin HPO2 0.0033 0.1276 0.1276
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0381 0.0476
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.0798 0.1198
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1781 0.2677
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0381 0.0476
Echinococcus granulosus zinc finger protein 0.0007 0.0084 0.0131
Toxoplasma gondii histone lysine methyltransferase SET1 0.0118 0.5132 1
Brugia malayi TAR-binding protein 0.0066 0.2773 0.2773
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0161 0.7065 1
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0598 0.0598
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.1618 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0153 0.023
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0152 0.6655 1
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0033 0.1276 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0161 0.7065 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0033 0.1276 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1781 0.2757
Echinococcus granulosus ornithine aminotransferase 0.0023 0.0798 0.1234
Trypanosoma brucei ISWI complex protein 0.0006 0.0047 0.0371
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.1787 0.2479
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2773 0.4167
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1781 0.2757
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1781 0.2677
Schistosoma mansoni bromodomain containing protein 0.0007 0.0084 0.0127
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1781 0.2677
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0093 0.0065
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0381 0.0476
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2773 0.4167
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0161 0.7065 1
Toxoplasma gondii Erv1 / Alr family protein 0.0033 0.1276 0.2486
Brugia malayi CXXC zinc finger family protein 0.0061 0.2506 0.2506
Mycobacterium tuberculosis Probable aminotransferase 0.0161 0.7065 1
Echinococcus multilocularis Aminotransferase class III 0.0023 0.0798 0.1198
Echinococcus granulosus cpg binding protein 0.0064 0.2662 0.412
Brugia malayi Augmenter of liver regeneration 0.0033 0.1276 0.1276
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0128 0.5585 0.8392
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2773 0.4167
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0381 0.0476
Loa Loa (eye worm) acetyltransferase 0.0152 0.6655 0.6655
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0023 0.0798 0.0798
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0381 0.0476
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0441 0.0663
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0152 0.6655 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0007 0.0084 0.0127
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0033 0.1276 0.1974
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0381 0.0476
Schistosoma mansoni myst-related protein 0.0007 0.0083 0.0125
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.1618 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0148 0.6462 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0381 0.0476
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0381 0.0476
Brugia malayi RNA binding protein 0.0066 0.2773 0.2773
Trypanosoma cruzi ISWI complex protein 0.0006 0.0047 0.0371
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0093 0.0065
Brugia malayi PHD-finger family protein 0.0007 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0007 0.0084 0.0084
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0609 0.0915
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0007 0.0084 0.0131
Trichomonas vaginalis hypothetical protein 0.0007 0.0093 0.0065
Plasmodium falciparum zinc finger protein, putative 0.0007 0.0083 0.0512
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0381 0.0476
Schistosoma mansoni cpg binding protein 0.0064 0.2662 0.4
Brugia malayi acetyltransferase, GNAT family protein 0.0152 0.6655 0.6655
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.1787 0.3482
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0033 0.1276 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0381 0.0476
Trichomonas vaginalis helicase, putative 0.0014 0.0381 0.0476
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.2773 0.2773
Schistosoma mansoni cpg binding protein 0.0061 0.2506 0.3765
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0441 0.0663
Schistosoma mansoni tar DNA-binding protein 0.0066 0.2773 0.4167
Onchocerca volvulus 0.0061 0.2506 1
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0033 0.1276 1
Leishmania major hypothetical protein, conserved 0.0033 0.1276 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1781 0.1781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1781 0.1781
Loa Loa (eye worm) hypothetical protein 0.0007 0.0084 0.0084
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.1618 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0609 0.0942
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 1 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0023 0.0798 0.1554
Echinococcus granulosus Aminotransferase class III 0.0023 0.0798 0.1234
Echinococcus granulosus tar DNA binding protein 0.0066 0.2773 0.4291
Loa Loa (eye worm) CXXC zinc finger family protein 0.0061 0.2506 0.2506
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0381 0.0476
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0033 0.1276 0.7139
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1781 0.2677
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0161 0.7065 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0023 0.0798 0.1198
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.1787 0.2479
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0441 0.0683
Loa Loa (eye worm) TAR-binding protein 0.0066 0.2773 0.2773
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.1787 0.3482
Echinococcus multilocularis zinc finger protein 0.0007 0.0084 0.0127
Echinococcus multilocularis cpg binding protein 0.0064 0.2662 0.4
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0609 0.0609
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0441 0.0663
Loa Loa (eye worm) RNA binding protein 0.0066 0.2773 0.2773
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0381 0.0476
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0381 0.0476
Schistosoma mansoni myst-related protein 0.0007 0.0083 0.0125
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0023 0.0798 0.5
Schistosoma mansoni cpg binding protein 0.0064 0.2662 0.4
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0381 0.0476
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0381 0.0476
Echinococcus multilocularis tar DNA binding protein 0.0066 0.2773 0.4167

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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