Detailed information for compound 350901

Basic information

Technical information
  • TDR Targets ID: 350901
  • Name: 1-(4-hydroxyphenyl)prop-2-en-1-one
  • MW: 148.159 | Formula: C9H8O2
  • H donors: 1 H acceptors: 2 LogP: 1.84 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CC(=O)c1ccc(cc1)O
  • InChi: 1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,10H,1H2
  • InChiKey: NKPPNPJUBLEKAD-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(4-hydroxyphenyl)-2-propen-1-one
  • 4-acryloylphenol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 4-aminobutyrate aminotransferase Starlite/ChEMBL References
Homo sapiens aldehyde dehydrogenase 5 family, member A1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii NADP-dependent succinate-semialdehyde dehydrogenase Get druggable targets OG5_127004 All targets in OG5_127004
Trypanosoma cruzi aldehyde dehydrogenase, putative Get druggable targets OG5_127004 All targets in OG5_127004
Schistosoma japonicum ko:K00139 succinate-semialdehyde dehydrogenase [EC1.2.1.24], putative Get druggable targets OG5_127004 All targets in OG5_127004
Leishmania mexicana aldehyde dehydrogenase, putative Get druggable targets OG5_127004 All targets in OG5_127004
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA Get druggable targets OG5_127004 All targets in OG5_127004
Leishmania infantum aldehyde dehydrogenase, putative Get druggable targets OG5_127004 All targets in OG5_127004
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127004 All targets in OG5_127004
Mycobacterium ulcerans succinate-semialdehyde dehydrogenase Get druggable targets OG5_127004 All targets in OG5_127004
Mycobacterium ulcerans L-lysine aminotransferase Get druggable targets OG5_129508 All targets in OG5_129508
Mycobacterium ulcerans NAD-dependent aldehyde dehydrogenase AldA Get druggable targets OG5_127004 All targets in OG5_127004
Candida albicans succinate-semialdehyde dehydrogenase Get druggable targets OG5_127004 All targets in OG5_127004
Leishmania major aldehyde dehydrogenase, putative Get druggable targets OG5_127004 All targets in OG5_127004
Candida albicans one of two potential aminotransferase genes Get druggable targets OG5_129508 All targets in OG5_129508
Leishmania braziliensis aldehyde dehydrogenase, putative Get druggable targets OG5_127004 All targets in OG5_127004
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 Get druggable targets OG5_127004 All targets in OG5_127004
Candida albicans putative succinate semialdehyde dehydrogenase Get druggable targets OG5_127004 All targets in OG5_127004
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127004 All targets in OG5_127004
Echinococcus granulosus succinate semialdehyde dehydrogenase Get druggable targets OG5_127004 All targets in OG5_127004
Mycobacterium leprae PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD Get druggable targets OG5_127004 All targets in OG5_127004
Echinococcus multilocularis succinate semialdehyde dehydrogenase Get druggable targets OG5_127004 All targets in OG5_127004
Candida albicans putative succinate semialdehyde dehydrogenase Get druggable targets OG5_127004 All targets in OG5_127004
Neospora caninum succinate-semialdehyde dehydrogenase, putative Get druggable targets OG5_127004 All targets in OG5_127004
Trypanosoma brucei aldehyde dehydrogenase, putative Get druggable targets OG5_127004 All targets in OG5_127004
Schistosoma mansoni succinate semialdehyde dehydrogenase Get druggable targets OG5_127004 All targets in OG5_127004
Candida albicans one of two potential aminotransferase genes similar to S. cerevisiae UGA1 (YGR019W) gamma-aminobutyrate (GABA) transaminase Get druggable targets OG5_129508 All targets in OG5_129508
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_127004 All targets in OG5_127004
Candida albicans succinate-semialdehyde dehydrogenase Get druggable targets OG5_127004 All targets in OG5_127004
Trypanosoma brucei gambiense aldehyde dehydrogenase, putative Get druggable targets OG5_127004 All targets in OG5_127004
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) Get druggable targets OG5_129508 All targets in OG5_129508
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor Get druggable targets OG5_129508 All targets in OG5_129508
Echinococcus multilocularis succinate semialdehyde dehydrogenase Get druggable targets OG5_127004 All targets in OG5_127004
Leishmania donovani aldehyde dehydrogenase, putative Get druggable targets OG5_127004 All targets in OG5_127004
Trypanosoma congolense aldehyde dehydrogenase, putative Get druggable targets OG5_127004 All targets in OG5_127004
Mycobacterium tuberculosis Probable aldehyde dehydrogenase NAD dependent AldA (aldehyde dehydrogenase [NAD+]) Get druggable targets OG5_127004 All targets in OG5_127004
Candida albicans one of two potential aminotransferase genes Get druggable targets OG5_129508 All targets in OG5_129508

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei aldehyde dehydrogenase family, putative aldehyde dehydrogenase 5 family, member A1 535 aa 442 aa 27.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0034 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0 0.5
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.0034 0 0.5
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0034 0 0.5
Leishmania major aldehyde dehydrogenase, putative 0.0034 0 0.5
Toxoplasma gondii NADP-dependent succinate-semialdehyde dehydrogenase 0.0034 0 0.5
Trypanosoma brucei aldehyde dehydrogenase, putative 0.0034 0 0.5
Mycobacterium leprae PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD 0.0034 0 0.5
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0293 1 1
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.0034 0 0.5
Mycobacterium ulcerans L-lysine aminotransferase 0.0293 1 1
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0034 0 0.5
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0034 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of GABA-T ChEMBL. 16690313
IC50 (binding) = 0.35 uM Inhibitory activity against SSADH ChEMBL. 16290145
IC50 (binding) = 0.35 uM Inhibitory activity against SSADH ChEMBL. 16290145
IC50 (binding) = 5.48 uM Inhibitory activity against GABAT ChEMBL. 16290145
IC50 (binding) = 5.48 uM Inhibitory activity against GABAT ChEMBL. 16290145
Ki (binding) = 470 uM Inhibition of GABA-T ChEMBL. 16690313

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

2 literature references were collected for this gene.

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