Detailed information for compound 21851

Basic information

Technical information
  • TDR Targets ID: 21851
  • Name: 4-(4-nonylphenyl)-2,4-dioxobutanoic acid
  • MW: 318.407 | Formula: C19H26O4
  • H donors: 1 H acceptors: 4 LogP: 5.77 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCc1ccc(cc1)C(=O)CC(=O)C(=O)O
  • InChi: 1S/C19H26O4/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)17(20)14-18(21)19(22)23/h10-13H,2-9,14H2,1H3,(H,22,23)
  • InChiKey: XFCPGEGWLPABEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-nonylphenyl)-2,4-dioxo-butanoic acid
  • 2,4-diketo-4-(4-nonylphenyl)butyric acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyacid oxidase (glycolate oxidase) 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible L-lactate dehydrogenase (cytochrome) LldD2 Get druggable targets OG5_126945 All targets in OG5_126945
Treponema pallidum hypothetical protein Get druggable targets OG5_126945 All targets in OG5_126945
Mycobacterium leprae POSSIBLE L-LACTATE DEHYDROGENASE (CYTOCHROME) LLDD2 Get druggable targets OG5_126945 All targets in OG5_126945
Candida albicans cytochrome b2 precursor Get druggable targets OG5_126945 All targets in OG5_126945
Candida albicans cytochrome b2 precursor Get druggable targets OG5_126945 All targets in OG5_126945
Mycobacterium ulcerans L-lactate dehydrogenase (cytochrome) LldD2 Get druggable targets OG5_126945 All targets in OG5_126945
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans L-lactate dehydrogenase (cytochrome) LldD1 hydroxyacid oxidase (glycolate oxidase) 1 370 aa 353 aa 38.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis neuroendocrine convertase 2 0.0091 0.2828 0.6413
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0088 0.2644 0.4316
Loa Loa (eye worm) endoprotease bli-4 0.0145 0.6127 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0731 0.1193
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0145 0.6127 1
Entamoeba histolytica isopentenyl-diphosphate delta-isomerase, putative 0.0075 0.1818 0.5
Echinococcus granulosus neuroendocrine convertase 2 0.0091 0.2828 0.4615
Trypanosoma brucei isopentenyl-diphosphate delta-isomerase (type II) 0.0075 0.1818 0.5
Giardia lamblia High cysteine membrane protein Group 2 0.0054 0.0547 0.5
Mycobacterium ulcerans L-lactate dehydrogenase (cytochrome) LldD2 0.0209 1 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0091 0.2828 0.4615
Brugia malayi endoprotease bli-4 precursor 0.0145 0.6127 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.6127 1
Echinococcus multilocularis 0.0117 0.4409 1
Echinococcus granulosus furin 0.0145 0.6127 1
Schistosoma mansoni furin-1 (S08 family) 0.0063 0.111 0.1812
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0088 0.2644 0.5
Brugia malayi proprotein convertase 2 0.0091 0.2828 0.4615
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0088 0.2644 0.5
Mycobacterium tuberculosis Possible L-lactate dehydrogenase (cytochrome) LldD2 0.0209 1 0.5
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0088 0.2644 0.5997
Leishmania major isopentenyl-diphosphate delta-isomerase, putative,isomerase, putative 0.0075 0.1818 0.5
Treponema pallidum hypothetical protein 0.0209 1 0.5
Brugia malayi celfurPC protein 0.0117 0.4409 0.7197

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 0.0000006 M In vitro inhibition of porcine Glycolate oxidase ChEMBL. 6348285
IC50 (binding) = 0.0000006 M In vitro inhibition of porcine Glycolate oxidase ChEMBL. 6348285

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

1 literature reference was collected for this gene.

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