Detailed information for compound 1719346

Basic information

Technical information
  • TDR Targets ID: 1719346
  • Name: 3-amino-3-hydroxyimino-N-phenylpropanamide
  • MW: 193.203 | Formula: C9H11N3O2
  • H donors: 3 H acceptors: 2 LogP: 0.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/CC(=O)Nc1ccccc1)\N
  • InChi: 1S/C9H11N3O2/c10-8(12-14)6-9(13)11-7-4-2-1-3-5-7/h1-5,14H,6H2,(H2,10,12)(H,11,13)
  • InChiKey: XTQZAZLVSUZNQQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3Z)-3-amino-3-hydroxyimino-N-phenylpropanamide
  • 3-amino-3-hydroxyimino-N-phenyl-propanamide
  • (3Z)-3-amino-3-hydroxyimino-N-phenyl-propanamide
  • (3Z)-3-amino-3-hydroximino-N-phenyl-propionamide
  • 3-amino-3-hydroximino-N-phenyl-propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 1A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lysine-specific histone demethylase 1, putative Get druggable targets OG5_130448 All targets in OG5_130448
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Echinococcus multilocularis lysine specific histone demethylase 1A Get druggable targets OG5_130448 All targets in OG5_130448
Brugia malayi SWIRM domain containing protein Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma mansoni Lysine-specific histone demethylase 1 Get druggable targets OG5_130448 All targets in OG5_130448
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Echinococcus granulosus lysine specific histone demethylase 1A Get druggable targets OG5_130448 All targets in OG5_130448
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130448 All targets in OG5_130448
Schistosoma japonicum ko:K00540 amine oxidase (flavin containing) domain 2 [EC:1.-.-.-], putative Get druggable targets OG5_130448 All targets in OG5_130448
Onchocerca volvulus Get druggable targets OG5_130448 All targets in OG5_130448
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.4091 0.4144
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0083 0.9093 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0017 0.0551 0.5
Mycobacterium ulcerans dehydrogenase 0.0017 0.0551 0.5
Echinococcus multilocularis 0.0017 0.0551 0.0606
Mycobacterium ulcerans oxidoreductase 0.0017 0.0551 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.1458 0.1458
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0551 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.4091 0.4499
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.1744 0.1744
Schistosoma mansoni lamin 0.0026 0.1744 0.1396
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0551 0.5
Leishmania major UDP-galactopyranose mutase 0.0017 0.0551 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0017 0.0551 0.0606
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.4091 0.4499
Brugia malayi hypothetical protein 0.0017 0.0551 0.0379
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0083 0.9093 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.4091 0.4091
Loa Loa (eye worm) hypothetical protein 0.0017 0.0551 0.0551
Echinococcus multilocularis musashi 0.0026 0.1744 0.1918
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0017 0.0551 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0024 0.1458 0.1303
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Echinococcus multilocularis lamin 0.0026 0.1744 0.1918
Mycobacterium ulcerans monoamine oxidase 0.0017 0.0551 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0017 0.0551 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0017 0.0551 0.5
Schistosoma mansoni lamin 0.0026 0.1744 0.1396
Echinococcus multilocularis protoporphyrinogen oxidase 0.0017 0.0551 0.0606
Loa Loa (eye worm) hypothetical protein 0.0026 0.1683 0.1683
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.4091 0.4144
Loa Loa (eye worm) intermediate filament protein 0.0026 0.1744 0.1744
Echinococcus granulosus intermediate filament protein 0.0026 0.1744 0.1918
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0017 0.0551 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0017 0.0551 0.5
Onchocerca volvulus 0.009 1 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0017 0.0551 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.4091 0.4144
Toxoplasma gondii histone lysine-specific demethylase 0.0017 0.0551 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0017 0.0551 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0017 0.0551 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0017 0.0551 0.5
Brugia malayi intermediate filament protein 0.0026 0.1744 0.1594
Chlamydia trachomatis protoporphyrinogen oxidase 0.0017 0.0551 0.5
Echinococcus granulosus lamin dm0 0.0026 0.1744 0.1918
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0017 0.0551 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0017 0.0551 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0017 0.0551 0.5
Echinococcus multilocularis lamin dm0 0.0026 0.1744 0.1918
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.1744 0.1594
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.4091 0.4499
Echinococcus granulosus lamin 0.0026 0.1744 0.1918
Loa Loa (eye worm) hypothetical protein 0.0083 0.9093 0.9093
Echinococcus granulosus lysine specific histone demethylase 1A 0.0083 0.9093 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.1744 0.1396
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0026 0.1744 0.1744
Loa Loa (eye worm) hypothetical protein 0.0017 0.0551 0.0551
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.4091 0.3983
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.4091 0.4499
Loa Loa (eye worm) hypothetical protein 0.0083 0.9093 0.9093
Trypanosoma cruzi UDP-galactopyranose mutase 0.0017 0.0551 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15.6 uM Inhibition of human recombinant N-terminal histidine tagged LSD1 expressed in Escherichia coli BL21 (DE3) assessed as production of H2O2 using H3K4me2 H3K4me2 (1 to 21 amino acid residues) as substrate by chemiluminescence assay ChEMBL. 22876979
Inhibition (binding) = 31.7 % Inhibition of human recombinant N-terminal histidine tagged LSD1 expressed in Escherichia coli BL21 (DE3) assessed as production of H2O2 using H3K4me2 (1 to 21 amino acid residues) as substrate at 10 uM by chemiluminescence assay ChEMBL. 22876979

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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