Detailed information for compound 1073671

Basic information

Technical information
  • TDR Targets ID: 1073671
  • Name: 1-(3-fluorophenyl)pyrrole-2,5-dione
  • MW: 191.159 | Formula: C10H6FNO2
  • H donors: 0 H acceptors: 2 LogP: 1.14 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)N1C(=O)C=CC1=O
  • InChi: 1S/C10H6FNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6H
  • InChiKey: JIOMRSWAMNOWRQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(3-fluorophenyl)-3-pyrroline-2,5-quinone
  • 7508-99-8
  • ZINC00098404
  • NSC407165
  • 1-(3-Fluorophenyl)-1H-pyrrole-2,5-dione
  • 1H-Pyrrole-2,5-dione, 1-(3-fluorophenyl)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae Rtt109p Starlite/ChEMBL References
Homo sapiens monoglyceride lipase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma brucei monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium ulcerans lysophospholipase Get druggable targets OG5_127037 All targets in OG5_127037
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania infantum monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Candida albicans similar to YJU3 Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium tuberculosis Possible lysophospholipase Get druggable targets OG5_127037 All targets in OG5_127037
Candida albicans similar to YJU3 Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium falciparum lysophospholipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania braziliensis monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma brucei gambiense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium falciparum esterase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium falciparum lysophospholipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania mexicana monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma brucei monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma brucei gambiense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Candida albicans Regulation of mitochondrial network Get druggable targets OG5_136567 All targets in OG5_136567
Trichomonas vaginalis valacyclovir hydrolase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium vivax PST-A protein Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma cruzi monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania donovani monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium falciparum lysophospholipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum esterase, putative monoglyceride lipase 303 aa 254 aa 19.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.466 1
Schistosoma mansoni CREB-binding protein 2 0.0111 0.655 0.655
Plasmodium falciparum lysophospholipase, putative 0.0084 0.466 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.466 1
Plasmodium falciparum lysophospholipase, putative 0.0084 0.466 1
Echinococcus multilocularis CREB binding protein 0.0111 0.655 0.655
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.466 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.466 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.9203 0.9203
Mycobacterium ulcerans lysophospholipase 0.0084 0.466 0.5
Mycobacterium tuberculosis Possible lysophospholipase 0.0084 0.466 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.1417 0.1417
Plasmodium falciparum lysophospholipase, putative 0.0084 0.466 1
Echinococcus granulosus muscleblind protein 0.0149 0.9203 0.9502
Leishmania major monoglyceride lipase, putative 0.0084 0.466 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.2638 0.2638
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.466 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0084 0.466 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.2079 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.2079 0.2146
Loa Loa (eye worm) hypothetical protein 0.0038 0.1417 0.1417
Echinococcus multilocularis muscleblind protein 0.0149 0.9203 0.9203
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.2638 0.2638
Trypanosoma cruzi monoglyceride lipase, putative 0.0084 0.466 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.466 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1417 0.1417
Loa Loa (eye worm) hypothetical protein 0.0055 0.2638 0.2638
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.466 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0156 0.9685 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.466 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.9203 0.9203
Echinococcus granulosus CREB binding protein 0.0111 0.655 0.6763
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.466 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.466 1
Brugia malayi Muscleblind-like protein 0.0149 0.9203 0.9203
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.1804 0.5
Loa Loa (eye worm) CBP-B 0.0111 0.655 0.655
Brugia malayi TAZ zinc finger family protein 0.0111 0.655 0.655
Plasmodium falciparum esterase, putative 0.0084 0.466 1
Plasmodium vivax PST-A protein 0.0084 0.466 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0084 0.466 1
Mycobacterium ulcerans hypothetical protein 0.0084 0.466 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.466 1
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0111 0.655 0.655
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.2079 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.2638 0.2638
Echinococcus multilocularis muscleblind protein 1 0.0149 0.9203 0.9203
Echinococcus granulosus CREB binding protein 0.0111 0.655 0.6763

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 assessed as H3K56 acetylated product at 125 uM after 45 mins by Slot bolt inhibiton assay ChEMBL. 25634295
Activity (binding) Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 assessed as H3K27 acetylated product at 125 uM after 45 mins by Slot bolt inhibiton assay ChEMBL. 25634295
IC50 (binding) = 2.39 uM Displacement of [3H]2-OG from human MGL by liquid scintillation counting ChEMBL. 19583260
IC50 (binding) = 6.1 uM Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenzyme A production after 45 mins by CPM based HTS assay ChEMBL. 25634295
IC50 (binding) = 10 uM Inhibition of Vps75-stimulated recombinant Saccharomyces cerevisiae histone acetyltransferase Rtt109 using Asf1-dH3-H4 as substrate assessed as coenzyme A production after 45 mins by CoA-based HTS counter screen assay ChEMBL. 25634295
IC50 (binding) = 89 uM Displacement of [3H]ethanolamine from human recombinant FAAH by liquid scintillation counting ChEMBL. 19583260

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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