Detailed information for compound 882599

Basic information

Technical information
  • TDR Targets ID: 882599
  • Name: N-(5-fluoro-9-oxoxanthen-3-yl)-4-nitrobenzami de
  • MW: 378.31 | Formula: C20H11FN2O5
  • H donors: 1 H acceptors: 4 LogP: 3.73 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)[N+](=O)[O-])Nc1ccc2c(c1)oc1c(c2=O)cccc1F
  • InChi: 1S/C20H11FN2O5/c21-16-3-1-2-15-18(24)14-9-6-12(10-17(14)28-19(15)16)22-20(25)11-4-7-13(8-5-11)23(26)27/h1-10H,(H,22,25)
  • InChiKey: XOIACMUKFPKNHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-fluoro-9-oxo-xanthen-3-yl)-4-nitro-benzamide
  • N-(5-fluoro-9-oxo-3-xanthenyl)-4-nitrobenzamide
  • N-(5-fluoro-9-keto-xanthen-3-yl)-4-nitro-benzamide
  • ZINC06660996

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0058 0.0058
Schistosoma mansoni cathepsin D (A01 family) 0.0017 0.0058 0.0058
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0026 0.0051
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0027 0.0317 0.0615
Brugia malayi Carboxylesterase family protein 0.015 0.3326 1
Echinococcus granulosus heat shock protein 90 0.0027 0.0317 0.0615
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0017 0.0058 0.0164
Loa Loa (eye worm) animal heme peroxidase 0.0065 0.1245 0.3739
Trypanosoma cruzi heat shock protein 85, putative 0.0027 0.0317 0.1381
Loa Loa (eye worm) acetylcholinesterase 1 0.015 0.3326 1
Brugia malayi Animal haem peroxidase family protein 0.0065 0.1245 0.3745
Echinococcus granulosus heat shock protein 90 0.0034 0.0489 0.095
Brugia malayi Animal haem peroxidase family protein 0.0065 0.1245 0.3745
Brugia malayi Carboxylesterase family protein 0.0025 0.0264 0.0794
Brugia malayi Animal haem peroxidase family protein 0.0065 0.1245 0.3745
Schistosoma mansoni heat shock protein 0.0034 0.0489 0.0489
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0738 0.5725
Schistosoma mansoni chromobox protein 0.0074 0.1459 0.1459
Loa Loa (eye worm) blistered cuticle protein 3 0.0065 0.1245 0.3739
Echinococcus multilocularis chromobox protein 1 0.0074 0.1459 0.2833
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Loa Loa (eye worm) heat shock protein 90 0.0034 0.0489 0.1464
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0785
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Brugia malayi heat shock protein 90 0.0034 0.0489 0.1471
Brugia malayi Carboxylesterase family protein 0.015 0.3326 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Loa Loa (eye worm) ICD-1 protein 0.0072 0.1407 0.4225
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0858 0.2573
Loa Loa (eye worm) animal heme peroxidase 0.0065 0.1245 0.3739
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Onchocerca volvulus Chorion peroxidase homolog 0.0065 0.1245 1
Loa Loa (eye worm) animal heme peroxidase 0.0065 0.1245 0.3739
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0026 0.008
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Echinococcus granulosus chromobox protein 1 0.0074 0.1459 0.2833
Onchocerca volvulus 0.0025 0.0264 0.1738
Trichomonas vaginalis heat shock protein, putative 0.0021 0.0162 0.0743
Schistosoma mansoni chromobox protein 0.0074 0.1459 0.1459
Schistosoma mansoni hypothetical protein 0.018 0.4062 0.4062
Plasmodium vivax endoplasmin, putative 0.0034 0.0489 0.32
Echinococcus granulosus acetylcholinesterase 0.015 0.3326 0.6458
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.015 0.3326 0.3326
Plasmodium vivax basic transcription factor 3b, putative 0.0072 0.1407 1
Brugia malayi Carboxylesterase family protein 0.0025 0.0264 0.0794
Brugia malayi aspartic protease BmAsp-1, identical 0.0017 0.0058 0.0173
Echinococcus granulosus Ankyrin 0.0015 0.0003 0.0006
Schistosoma mansoni peroxidasin 0.0065 0.1245 0.1245
Brugia malayi chromobox protein homolog 3 0.0041 0.066 0.1985
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Schistosoma mansoni hypothetical protein 0.0016 0.0026 0.0026
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0026 0.008
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Loa Loa (eye worm) carboxylesterase 0.0025 0.0264 0.0785
Loa Loa (eye worm) hypothetical protein 0.015 0.3326 1
Onchocerca volvulus 0.0025 0.0264 0.1738
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0025 0.0264 0.1474
Trypanosoma cruzi heat shock protein 90, putative 0.0034 0.0489 0.2747
Loa Loa (eye worm) animal heme peroxidase 0.0065 0.1245 0.3739
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0025 0.0264 0.0513
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0264 0.0264
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0363 0.2178
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.1407 0.9628
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0027 0.0317 1
Schistosoma mansoni heat shock protein 0.0034 0.0489 0.0489
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1459 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0224 0.515 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0058 0.0058
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0025 0.0264 0.0513
Brugia malayi Carboxylesterase family protein 0.0025 0.0264 0.0794
Toxoplasma gondii heat shock protein HSP90 0.0034 0.0489 0.32
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0363 0.2178
Echinococcus multilocularis geminin 0.018 0.4062 0.7887
Echinococcus multilocularis peroxidasin 0.0065 0.1245 0.2418
Loa Loa (eye worm) endoplasmin 0.0034 0.0489 0.1464
Entamoeba histolytica hypothetical protein 0.0072 0.1407 1
Schistosoma mansoni hypothetical protein 0.018 0.4062 0.4062
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.1459 0.4382
Brugia malayi Animal haem peroxidase family protein 0.0065 0.1245 0.3745
Onchocerca volvulus 0.0025 0.0264 0.1738
Loa Loa (eye worm) hypothetical protein 0.0017 0.0058 0.0164
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0785
Giardia lamblia Heat shock protein HSP 90-alpha 0.0034 0.0489 1
Onchocerca volvulus 0.0025 0.0264 0.1738
Echinococcus granulosus acetylcholinesterase 0.015 0.3326 0.6458
Trypanosoma cruzi transcription factor btf3, putative 0.0072 0.1407 1
Brugia malayi hypothetical protein 0.0025 0.0264 0.0794
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Leishmania major basic transcription factor 3a, putative 0.0072 0.1407 1
Schistosoma mansoni cathepsin D (A01 family) 0.0017 0.0058 0.0058
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0858 0.258
Trichomonas vaginalis endoplasmin, putative 0.0021 0.0162 0.0743
Brugia malayi Endoplasmin precursor 0.0034 0.0489 0.1471
Onchocerca volvulus Dual oxidase homolog 0.0065 0.1245 1
Echinococcus granulosus geminin 0.018 0.4062 0.7887
Toxoplasma gondii NAC domain-containing protein 0.0072 0.1407 1
Loa Loa (eye worm) aspartyl protease 6 0.0017 0.0058 0.0164
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0027 0.0317 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0058 0.0058
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0317 0.1849
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.066 0.4301
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0058 0.0058
Brugia malayi Blistered cuticle protein 3 0.0065 0.1245 0.3745
Schistosoma mansoni peroxidasin 0.0065 0.1245 0.1245
Plasmodium falciparum endoplasmin, putative 0.0021 0.0162 0.0771
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0058 0.0058
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0058 0.0058
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0317 0.1849
Plasmodium vivax heat shock protein 86, putative 0.0034 0.0489 0.32
Schistosoma mansoni BC026374 protein (S09 family) 0.0025 0.0264 0.0264
Echinococcus granulosus peroxidasin 0.0065 0.1245 0.2418
Echinococcus multilocularis transcription factor btf3 0.0072 0.1407 0.2732
Echinococcus granulosus heat shock protein 0.0034 0.0489 0.095
Onchocerca volvulus Peroxidase homolog 0.0065 0.1245 1
Onchocerca volvulus 0.0025 0.0264 0.1738
Echinococcus multilocularis acetylcholinesterase 0.015 0.3326 0.6458
Echinococcus multilocularis para nitrobenzyl esterase 0.0025 0.0264 0.0513
Echinococcus granulosus carboxylesterase 5A 0.015 0.3326 0.6458
Echinococcus granulosus BC026374 protein S09 family 0.0025 0.0264 0.0513
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0264 0.0264
Echinococcus granulosus endoplasmin 0.0027 0.0317 0.0615
Brugia malayi beta-NAC-like protein 0.0072 0.1407 0.423
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0025 0.0264 0.0264
Plasmodium falciparum heat shock protein 90 0.0034 0.0489 0.32
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0026 0.0051
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0017 0.0058 0.0112
Loa Loa (eye worm) hypothetical protein 0.0034 0.0473 0.1415
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.066 0.4301
Onchocerca volvulus 0.0065 0.1245 1
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Loa Loa (eye worm) hypothetical protein 0.0017 0.0058 0.0164
Trypanosoma cruzi transcription factor btf3, putative 0.0072 0.1407 1
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0738 0.4853
Brugia malayi aspartic protease BmAsp-2, identical 0.0017 0.0058 0.0173
Echinococcus granulosus chromobox protein 1 0.0074 0.1459 0.2833
Schistosoma mansoni endoplasmin 0.0034 0.0489 0.0489
Echinococcus multilocularis heat shock protein 0.0034 0.0489 0.095
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.1407 0.9628
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0489 0.2747
Loa Loa (eye worm) hypothetical protein 0.0032 0.044 0.1316
Onchocerca volvulus 0.0065 0.1245 1
Schistosoma mansoni endoplasmin 0.0034 0.0489 0.0489
Echinococcus granulosus neuroligin 0.0025 0.0264 0.0513
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0017 0.0058 0.0164
Schistosoma mansoni neuroligin 3 (S09 family) 0.0025 0.0264 0.0264
Trypanosoma cruzi heat shock protein 90, putative 0.0027 0.0317 0.1381
Trypanosoma brucei transcription factor BTF3, putative 0.0072 0.1407 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0785
Echinococcus multilocularis heat shock protein 90 0.0027 0.0317 0.0615
Schistosoma mansoni hypothetical protein 0.0016 0.0026 0.0026
Echinococcus multilocularis carboxylesterase 5A 0.015 0.3326 0.6458
Treponema pallidum heat shock protein 90 0.0027 0.0317 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0026 0.007
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0785
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0489 0.2747
Entamoeba histolytica transcription factor BTF3, putative 0.0072 0.1407 1
Schistosoma mansoni hypothetical protein 0.0016 0.0026 0.0026
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Mycobacterium ulcerans heat shock protein 90 0.0027 0.0317 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Plasmodium falciparum basic transcription factor 3b, putative 0.0072 0.1407 1
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0785
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0058 0.0058
Echinococcus granulosus para nitrobenzyl esterase 0.0025 0.0264 0.0513
Brugia malayi Heterochromatin protein 1 0.0074 0.1459 0.4387
Echinococcus multilocularis GPCR, family 2 0.0016 0.0026 0.0051
Brugia malayi hypothetical protein 0.0065 0.1245 0.3745
Trichomonas vaginalis heat shock protein, putative 0.0034 0.0489 0.3081
Onchocerca volvulus Peroxidasin homolog 0.0065 0.1245 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0034 0.0489 0.2747
Loa Loa (eye worm) carboxylesterase 0.0025 0.0264 0.0785
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0017 0.0058 0.0112
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Loa Loa (eye worm) carboxylesterase 0.015 0.3326 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Loa Loa (eye worm) hypothetical protein 0.0041 0.066 0.1978
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Brugia malayi Peroxidasin 0.0065 0.1245 0.3745
Onchocerca volvulus 0.0065 0.1245 1
Brugia malayi hypothetical protein 0.0017 0.0058 0.0173
Onchocerca volvulus Peroxidase homolog 0.0065 0.1245 1
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Toxoplasma gondii heat shock protein 90, putative 0.0034 0.0489 0.32
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0003 0.0003
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0489 0.2747
Echinococcus multilocularis heat shock protein 90 0.0034 0.0489 0.095
Brugia malayi Pepsin A precursor 0.0017 0.0058 0.0173
Schistosoma mansoni acetylcholinesterase 0.0025 0.0264 0.0264
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0317 0.1849
Loa Loa (eye worm) hypothetical protein 0.0016 0.0026 0.007
Onchocerca volvulus Peroxidasin homolog 0.0065 0.1245 1
Schistosoma mansoni gliotactin 0.0025 0.0264 0.0264
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0026 0.0051
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Loa Loa (eye worm) hypothetical protein 0.0049 0.0858 0.2573
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0473 0.1423
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0027 0.0317 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0026 0.0026
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.066 0.5074
Brugia malayi hypothetical protein 0.0017 0.0058 0.0173
Schistosoma mansoni transcription factor btf3 0.0072 0.1407 0.1407
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0858 0.258
Loa Loa (eye worm) hypothetical protein 0.0017 0.0058 0.0164
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.1407 0.9628
Echinococcus multilocularis chromobox protein 1 0.0074 0.1459 0.2833
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Echinococcus granulosus nuclear factor of activated T cells 5 0.0224 0.515 1
Loa Loa (eye worm) hypothetical protein 0.015 0.3326 1
Brugia malayi Carboxylesterase family protein 0.0025 0.0264 0.0794
Echinococcus multilocularis Ankyrin 0.0015 0.0003 0.0006
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0058 0.0058
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0017 0.0058 0.0058
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0738 0.4853
Echinococcus multilocularis acetylcholinesterase 0.015 0.3326 0.6458
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1459 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0785
Echinococcus granulosus transcription factor btf3 0.0072 0.1407 0.2732
Loa Loa (eye worm) hypothetical protein 0.0065 0.1245 0.3739
Leishmania major heat shock protein 83-1 0.0034 0.0489 0.1584
Onchocerca volvulus 0.0032 0.044 0.3221
Brugia malayi Animal haem peroxidase family protein 0.0065 0.1245 0.3745
Schistosoma mansoni hypothetical protein 0.0034 0.0473 0.0473
Echinococcus granulosus GPCR family 2 0.0016 0.0026 0.0051
Echinococcus multilocularis BC026374 protein (S09 family) 0.0025 0.0264 0.0513
Loa Loa (eye worm) hypothetical protein 0.0025 0.0264 0.0785
Echinococcus multilocularis endoplasmin 0.0027 0.0317 0.0615
Brugia malayi Eukaryotic aspartyl protease family protein 0.0017 0.0058 0.0173
Trichomonas vaginalis spcc417.12 protein, putative 0.0025 0.0264 0.1474
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0026 0.0051
Echinococcus multilocularis neuroligin 0.0025 0.0264 0.0513

Activities

No activities found for this compound.

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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