Detailed information for compound 680319

Basic information

Technical information
  • TDR Targets ID: 680319
  • Name: 2-[4-[(4-fluorophenyl)methoxy]phenyl]isoindol e-1,3-dione
  • MW: 347.339 | Formula: C21H14FNO3
  • H donors: 0 H acceptors: 2 LogP: 4.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N(c2ccc(cc2)OCc2ccc(cc2)F)C(=O)c2c1cccc2
  • InChi: 1S/C21H14FNO3/c22-15-7-5-14(6-8-15)13-26-17-11-9-16(10-12-17)23-20(24)18-3-1-2-4-19(18)21(23)25/h1-12H,13H2
  • InChiKey: KFKNTFUCDTXIJZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[(4-fluorophenyl)methoxy]phenyl]isoindoline-1,3-dione
  • 2-[4-(4-fluorobenzyl)oxyphenyl]isoindoline-1,3-quinone
  • ZINC04056245
  • Oprea1_579727
  • ST5195396
  • Oprea1_780028

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
Leishmania major homoserine kinase, putative 0.0139 0.3138 0.366
Mycobacterium tuberculosis Probable reductase 0.0087 0.1891 0.2136
Echinococcus multilocularis cpg binding protein 0.003 0.0546 0.0656
Entamoeba histolytica galactokinase, putative 0.0358 0.8321 1
Trypanosoma cruzi galactokinase-like protein, putative 0.0299 0.692 0.8286
Trypanosoma brucei polo-like protein kinase 0.0189 0.4308 0.8193
Trichomonas vaginalis galactokinase, putative 0.008 0.1736 0.3804
Mycobacterium ulcerans hypothetical protein 0.0216 0.4961 0.4887
Trichomonas vaginalis galactokinase, putative 0.0059 0.1234 0.2602
Echinococcus granulosus Mevalonate galactokinase 0.0139 0.3138 0.3771
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0041 0.0049
Trypanosoma brucei trypanothione reductase 0.0038 0.0735 0.1161
Treponema pallidum hypothetical protein 0.0429 1 1
Plasmodium falciparum glutathione reductase 0.0038 0.0735 0.0901
Mycobacterium tuberculosis Probable homoserine kinase ThrB 0.0059 0.1234 0.1331
Trypanosoma brucei mevalonate-diphosphate decarboxylase 0.0059 0.1234 0.2143
Leishmania major trypanothione reductase 0.0038 0.0735 0.0721
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0429 1 1
Schistosoma mansoni mevalonate kinase 0.0139 0.3138 0.7249
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0145 0.0174
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0735 0.1618
Trichomonas vaginalis galactokinase, putative 0.019 0.4329 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.1891 0.2136
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0429 1 1
Trypanosoma cruzi homoserine kinase 0.0139 0.3138 0.366
Brugia malayi diphosphomevalonate decarboxylase family protein 0.0059 0.1234 0.2785
Giardia lamblia Diphosphomevalonate decarboxylase 0.0059 0.1234 0.2615
Leishmania major fucose kinase, putative 0.0059 0.1234 0.1331
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0041 0.0049
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.0059 0.1234 0.1331
Schistosoma mansoni galactokinase 0.019 0.4329 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.0508 0.1094
Echinococcus multilocularis Mevalonate galactokinase 0.0139 0.3138 0.3771
Trichomonas vaginalis galactokinase, putative 0.019 0.4329 1
Loa Loa (eye worm) galactokinase 0.019 0.4329 1
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.0059 0.1234 0.1331
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0349 0.8096 1
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.4308 0.995
Leishmania major mevalonate kinase, putative 0.0139 0.3138 0.366
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.4308 0.995
Loa Loa (eye worm) glutathione reductase 0.0038 0.0735 0.1618
Brugia malayi serine/threonine-protein kinase plk-2 0.0189 0.4308 0.9951
Loa Loa (eye worm) hypothetical protein 0.0059 0.1234 0.2781
Echinococcus granulosus diphosphomevalonate decarboxylase 0.0059 0.1234 0.1482
Trypanosoma brucei homoserine kinase 0.0139 0.3138 0.589
Mycobacterium tuberculosis Possible D-alpha-D-heptose-7-phosphate kinase HddA 0.0139 0.3138 0.366
Plasmodium falciparum 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0289 0.6694 1
Mycobacterium ulcerans galactokinase 0.0358 0.8321 0.8296
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.2121 0.2417
Giardia lamblia Mevalonate kinase 0.0139 0.3138 0.7189
Plasmodium vivax 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0289 0.6694 1
Schistosoma mansoni cpg binding protein 0.0028 0.0508 0.1173
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0747 0.0898
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.1891 0.2136
Schistosoma mansoni kinase 0.0096 0.2107 0.4867
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative 0.0059 0.1234 0.2602
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0189 0.4308 0.5177
Toxoplasma gondii GHMP kinase, putative 0.0139 0.3138 0.7153
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0145 0.0248
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2048 0.4548
Trypanosoma brucei mevalonate diphosphate decarboxylase 0.0059 0.1234 0.2143
Schistosoma mansoni serine/threonine protein kinase 0.0189 0.4308 0.9951
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0747 0.0898
Echinococcus multilocularis galactokinase 0.0358 0.8321 1
Brugia malayi glutathione reductase 0.0038 0.0735 0.1623
Trypanosoma cruzi polo-like protein kinase, putative 0.0189 0.4308 0.5091
Plasmodium vivax glutathione reductase, putative 0.0038 0.0735 0.0901
Treponema pallidum galactokinase 0.0299 0.692 0.6874
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.1891 0.2136
Echinococcus granulosus geminin 0.0171 0.3875 0.4657
Schistosoma mansoni cpg binding protein 0.003 0.0546 0.1262
Schistosoma mansoni diphosphomevalonate decarboxylase 0.0059 0.1234 0.285
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0145 0.0174
Mycobacterium ulcerans diphosphomevalonate decarboxylase 0.0059 0.1234 0.1105
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.1234 0.2602
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.4308 0.995
Onchocerca volvulus 0.0059 0.1234 0.191
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.4308 0.995
Plasmodium falciparum thioredoxin reductase 0.0038 0.0735 0.0901
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0189 0.4308 0.5091
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.001 0.0062 0.0055
Leishmania major galactokinase-like protein 0.0358 0.8321 1
Trypanosoma cruzi fucose kinase, putative 0.008 0.1736 0.1946
Schistosoma mansoni hypothetical protein 0.0171 0.3875 0.8953
Schistosoma mansoni cpg binding protein 0.003 0.0546 0.1262
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.4308 0.995
Trypanosoma cruzi galactokinase, putative 0.0358 0.8321 1
Trypanosoma cruzi fucose kinase, putative 0.008 0.1736 0.1946
Trichomonas vaginalis galactokinase, putative 0.019 0.4329 1
Toxoplasma gondii thioredoxin reductase 0.0038 0.0735 0.141
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0139 0.3138 0.589
Echinococcus multilocularis N acetylgalactosamine kinase 0.019 0.4329 0.5202
Trypanosoma brucei mevalonate kinase, putative 0.0139 0.3138 0.589
Echinococcus multilocularis diphosphomevalonate decarboxylase 0.0059 0.1234 0.1482
Echinococcus granulosus N acetylgalactosamine kinase 0.019 0.4329 0.5202
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0087 0.1891 0.075
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0145 0.0335
Mycobacterium ulcerans phosphomevalonate kinase 0.0139 0.3138 0.3037
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2048 0.4548
Trichomonas vaginalis mevalonate kinase, putative 0.0059 0.1234 0.2602
Trypanosoma brucei galactokinase-like protein, putative 0.0227 0.5226 1
Mycobacterium tuberculosis Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0289 0.6694 0.8011
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0735 0.0721
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0189 0.4308 0.5177
Trypanosoma cruzi homoserine kinase 0.0139 0.3138 0.366
Loa Loa (eye worm) hypothetical protein 0.0139 0.3138 0.7222
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.0059 0.1234 0.1331
Echinococcus granulosus cpg binding protein 0.003 0.0546 0.0656
Trypanosoma cruzi polo-like protein kinase, putative 0.0189 0.4308 0.5091
Echinococcus granulosus galactokinase 0.0358 0.8321 1
Leishmania major phosphomevalonate kinase protein, putative 0.0139 0.3138 0.366
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.4308 0.995
Echinococcus multilocularis geminin 0.0171 0.3875 0.4657
Trypanosoma cruzi galactokinase, putative 0.0358 0.8321 1
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0358 0.8321 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.2121 0.2417
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.2121 0.2417
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.2121 0.1012
Giardia lamblia Kinase, PLK 0.0189 0.4308 1
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.019 0.4329 1
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0735 0.0901
Trichomonas vaginalis CAMK family protein kinase 0.0189 0.4308 0.995
Trypanosoma cruzi mevalonate kinase, putative 0.0139 0.3138 0.366
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.001 0.0062 0.0055
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1112 0.2311
Schistosoma mansoni hypothetical protein 0.0171 0.3875 0.8953
Trypanosoma cruzi galactokinase, putative 0.0299 0.692 0.8286
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1265 0.2922
Brugia malayi Thioredoxin reductase 0.0038 0.0735 0.1623
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.0059 0.1234 0.1331
Brugia malayi galactokinase family protein 0.019 0.4329 1
Mycobacterium ulcerans homoserine kinase 0.0139 0.3138 0.3037
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.1891 0.2136
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.1891 0.2136
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0735 0.0721
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0189 0.4308 0.9951
Onchocerca volvulus Serine\/threonine kinase homolog 0.0189 0.4308 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0508 0.1088
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0139 0.3138 0.3037
Leishmania major fucose kinase, putative 0.0059 0.1234 0.1331
Brugia malayi mevalonate kinase family protein 0.0139 0.3138 0.7224
Leishmania major mevalonate-diphosphate decarboxylase, putative 0.0059 0.1234 0.1331
Trichomonas vaginalis galactokinase, putative 0.019 0.4329 1

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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