Detailed information for compound 900057

Basic information

Technical information
  • TDR Targets ID: 900057
  • Name: 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl) benzamide
  • MW: 360.338 | Formula: C21H13FN2O3
  • H donors: 1 H acceptors: 3 LogP: 3.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)NC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C21H13FN2O3/c22-14-8-10-15(11-9-14)23-19(25)13-4-3-5-16(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)
  • InChiKey: AYSLVYZBAPLVTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1,3-dioxoisoindolin-2-yl)-N-(4-fluorophenyl)benzamide
  • 3-(1,3-dioxo-2-isoindolinyl)-N-(4-fluorophenyl)benzamide
  • 3-(1,3-diketoisoindolin-2-yl)-N-(4-fluorophenyl)benzamide
  • 5584-95-2
  • A2340/0098789
  • ZINC01066904
  • Oprea1_434827
  • Oprea1_364733
  • 3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(4-fluoro-phenyl)-benzamide
  • BAS 00135748

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Giardia lamblia Nuclear LIM interactor-interacting factor 1 Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium falciparum NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K01090 protein phosphatase [EC3.1.3.16], putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania donovani dullard-like phosphatase domain containing protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus CTD small phosphatase protein like Get druggable targets OG5_127075 All targets in OG5_127075
Babesia bovis Dullard-like phosphatase domain containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Toxoplasma gondii Dullard family phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum CTD small phosphatase-like protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Theileria parva nuclear LIM interactor-interacting factor 1, putative Get druggable targets OG5_127075 All targets in OG5_127075
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma congolense TFIIF-stimulated CTD phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Trypanosoma brucei TFIIF-stimulated CTD phosphatase, putative CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 260 aa 263 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0845 1 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0157 0.1189 0.2023
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0204 0.1796 0.3057
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0145 0.1042 0.1774
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0157 0.1189 0.5
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0145 0.1042 0.1042
Schistosoma mansoni cpg binding protein 0.0104 0.0517 0.0517
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0204 0.1796 0.3057
Schistosoma mansoni histone J3 methyltransferase 0.0129 0.0834 0.0834
Mycobacterium ulcerans spermidine synthase 0.0389 0.4168 0.3381
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0157 0.1189 0.1189
Brugia malayi Spermidine synthase 0.0523 0.5876 0.5876
Echinococcus granulosus purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0157 0.1189 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0157 0.1189 0.5
Schistosoma mansoni methylthioadenosine phosphorylase 0.0157 0.1189 0.1189
Leishmania major S-adenosylmethionine decarboxylase 0.0419 0.4545 0.391
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0145 0.1042 0.877
Trypanosoma cruzi spermidine synthase, putative 0.0523 0.5876 0.532
Trypanosoma cruzi spermidine synthase, putative 0.0523 0.5876 0.532
Loa Loa (eye worm) hypothetical protein 0.0129 0.0834 0.0834
Echinococcus multilocularis purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0419 0.4545 0.391
Toxoplasma gondii phosphorylase family protein 0.0157 0.1189 0.4668
Schistosoma mansoni cpg binding protein 0.0104 0.0517 0.0517
Echinococcus granulosus probable protein arginine n-methyltransferase 0.0294 0.2953 0.2953
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0845 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Leishmania major spermidine synthase 0.0523 0.5876 0.5396
Echinococcus granulosus purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0157 0.1189 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.1189 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0845 1 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0845 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0419 0.4545 0.3809
Echinococcus multilocularis disco interacting protein 2 0.012 0.0716 0.0716
Trypanosoma brucei spermidine synthase 0.0523 0.5876 0.5396
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0419 0.4545 0.391
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0157 0.1189 0.5
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0689 0.7998 1
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0419 0.4545 0.4545
Echinococcus granulosus purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Schistosoma mansoni cpg binding protein 0.0104 0.0517 0.0517
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0157 0.1189 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0157 0.1189 0.5
Brugia malayi hypothetical protein 0.0168 0.1337 0.1337
Loa Loa (eye worm) hypothetical protein 0.0168 0.1337 0.1337
Echinococcus multilocularis purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Brugia malayi CXXC zinc finger family protein 0.0104 0.0517 0.0517
Onchocerca volvulus 0.0168 0.1337 1
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.012 0.0716 0.0716
Schistosoma mansoni purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0263 0.2546 0.4334
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0157 0.1189 0.5
Trypanosoma brucei uridine phosphorylase 0.0157 0.1189 0.0163
Echinococcus granulosus purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0419 0.4545 0.4545
Brugia malayi Disco-interacting protein 2 homolog 0.012 0.0716 0.0716
Toxoplasma gondii phosphorylase family protein 0.0157 0.1189 0.4668
Echinococcus granulosus spermidine synthase 0.0523 0.5876 0.5876
Echinococcus granulosus purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0157 0.1189 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0157 0.1189 0.5
Brugia malayi hypothetical protein 0.0168 0.1337 0.1337
Toxoplasma gondii DNA methyltransferase 2, putative 0.0145 0.1042 0.4094
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.062 0.7118 0.7118
Schistosoma mansoni uridine phosphorylase 0.0157 0.1189 0.1189
Echinococcus multilocularis histone h3 methyltransferase 0.0129 0.0834 0.0834
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0845 1 1
Onchocerca volvulus 0.012 0.0716 0.2429
Giardia lamblia UPL-1 0.0157 0.1189 0.5
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0129 0.0834 0.0834
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0845 1 1
Brugia malayi uridine phosphorylase family protein 0.0157 0.1189 0.1189
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.0389 0.4168 0.4375
Toxoplasma gondii Purine nucleoside phosphorylase 0.0157 0.1189 0.4668
Brugia malayi NNMT/PNMT/TEMT family protein 0.062 0.7118 0.7118
Schistosoma mansoni methylthioadenosine phosphorylase 0.0845 1 1
Echinococcus granulosus cpg binding protein 0.0104 0.0517 0.0517
Schistosoma mansoni uridine phosphorylase 0.0157 0.1189 0.1189
Entamoeba histolytica hypothetical protein 0.0157 0.1189 1
Echinococcus granulosus disco interacting protein 2 0.012 0.0716 0.0716
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0157 0.1189 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Trypanosoma cruzi spermidine synthase, putative 0.0523 0.5876 0.532
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0157 0.1189 0.5
Toxoplasma gondii hypothetical protein 0.0263 0.2546 1
Loa Loa (eye worm) hypothetical protein 0.062 0.7118 0.7118
Echinococcus granulosus uridine phosphorylase 1 0.0157 0.1189 0.1189
Loa Loa (eye worm) spermidine synthase 0.0523 0.5876 0.5876
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0419 0.4545 0.4545
Treponema pallidum uridine phosphorylase (udp) 0.0157 0.1189 0.5
Mycobacterium leprae probable uridine phosphorylase 0.0157 0.1189 0.5
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0845 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0157 0.1189 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Plasmodium falciparum spermidine synthase 0.0523 0.5876 1
Plasmodium vivax spermidine synthase, putative 0.0523 0.5876 1
Echinococcus multilocularis cpg binding protein 0.0104 0.0517 0.0517
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0157 0.1189 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Loa Loa (eye worm) CXXC zinc finger family protein 0.0104 0.0517 0.0517
Trypanosoma cruzi spermidine synthase, putative 0.0523 0.5876 0.532
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0157 0.1189 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0157 0.1189 1
Treponema pallidum pfs protein (pfs) 0.0157 0.1189 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.1189 0.5
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0157 0.1189 1
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0145 0.1042 0.1774
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0145 0.1042 0.1042
Echinococcus multilocularis purine nucleoside phosphorylase 0.0157 0.1189 0.1189
Plasmodium falciparum purine nucleoside phosphorylase 0.0157 0.1189 0.2023
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0419 0.4545 0.391
Loa Loa (eye worm) hypothetical protein 0.012 0.0716 0.0716
Loa Loa (eye worm) hypothetical protein 0.0168 0.1337 0.1337
Loa Loa (eye worm) uridine phosphorylase 0.0157 0.1189 0.1189
Echinococcus granulosus methylthioadenosine phosphorylase 0.0845 1 1
Echinococcus multilocularis spermidine synthase 0.0523 0.5876 0.5876
Chlamydia trachomatis AMP nucleosidase 0.0157 0.1189 0.5
Leishmania major methylthioadenosine phosphorylase, putative 0.0845 1 1
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0145 0.1042 0.4094
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0157 0.1189 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0157 0.1189 0.5
Loa Loa (eye worm) hypothetical protein 0.062 0.7118 0.7118
Echinococcus granulosus DNA methyltransferase 2, putative 0.0145 0.1042 0.1042
Echinococcus granulosus histone h3 methyltransferase 0.0129 0.0834 0.0834
Loa Loa (eye worm) hypothetical protein 0.0168 0.1337 0.1337
Echinococcus multilocularis uridine phosphorylase 1 0.0157 0.1189 0.1189
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0157 0.1189 0.8194
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0419 0.4545 0.4545
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0419 0.4545 0.3809
Leishmania major nucleoside phosphorylase-like protein 0.0157 0.1189 0.0163

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 11.073 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] ChEMBL. No reference
IC50 (functional) > 30 uM Antagonist activity at rat mGluR5 expressed in human HEK293A cells assessed as inhibition of glutamate-induced calcium flux ChEMBL. 19875287
Inhibition (functional) = 73 % Antagonist activity at rat mGluR5 expressed in human HEK293A cells assessed as inhibition of glutamate-induced calcium flux relative to glutamate ChEMBL. 19875287
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.8078 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

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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