TDR Targets

Basic information

Technical information

TDR Targets ID: 185896
Name: 1-(4-fluorophenyl)-3-(hydroxymethyl)-5-methox y-2-methylindole-4,7-dione
MW: 315.296 | Formula: C17H14FNO4
H donors: 1 H acceptors: 3 LogP: 1.98 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COC1=CC(=O)c2c(C1=O)c(CO)c(n2c1ccc(cc1)F)C
InChi: 1S/C17H14FNO4/c1-9-12(8-20)15-16(13(21)7-14(23-2)17(15)22)19(9)11-5-3-10(18)4-6-11/h3-7,20H,8H2,1-2H3
InChiKey: QIBZAAUTZAKKIS-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-(4-fluorophenyl)-3-(hydroxymethyl)-5-methoxy-2-methyl-indole-4,7-dione
1-(4-fluorophenyl)-5-methoxy-2-methyl-3-methylol-indole-4,7-quinone

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Netrin receptor DCC	0.0195	0.1518	0.1361
Brugia malayi	myotactin form A	0.0195	0.1518	0.1606
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0282	0.2781	0.2648
Schistosoma mansoni	factor for adipocyte differentiation	0.0195	0.1518	0.1464
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0135	0.0639	0.0466
Brugia malayi	Protein-tyrosine phosphatase	0.0195	0.1518	0.1606
Onchocerca volvulus		0.0195	0.1518	0.6519
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0481	0.5667	0.5587
Loa Loa (eye worm)	hypothetical protein	0.0481	0.567	0.6597
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0195	0.1518	0.1361
Echinococcus multilocularis	anosmin 1	0.0195	0.1518	0.1361
Loa Loa (eye worm)	hypothetical protein	0.0676	0.8502	1
Echinococcus granulosus	roundabout 2	0.0298	0.3016	0.2887
Schistosoma mansoni	nephrin	0.0723	0.9194	0.9876
Brugia malayi	Fibronectin type III domain containing protein	0.0195	0.1518	0.1606
Echinococcus multilocularis	roundabout 2	0.0779	1	1
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0298	0.3016	0.2887
Echinococcus multilocularis	anosmin 1	0.0195	0.1518	0.1361
Echinococcus granulosus	cell adhesion molecule	0.0195	0.1518	0.1361
Echinococcus granulosus	Fibronectin type III domain containing protein	0.0195	0.1518	0.1361
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0676	0.8502	1
Echinococcus multilocularis	Fibronectin type III domain containing protein	0.0195	0.1518	0.1361
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0195	0.1518	0.1361
Loa Loa (eye worm)	hypothetical protein	0.0243	0.221	0.2438
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0481	0.5667	0.6011
Schistosoma mansoni	cell adhesion molecule	0.0298	0.3016	0.3106
Leishmania major	hypothetical protein, conserved	0.0195	0.1518	0.5
Schistosoma mansoni	titin	0.0243	0.221	0.2223
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0298	0.3016	0.2887
Trypanosoma cruzi	hypothetical protein, conserved	0.0195	0.1518	0.5
Brugia malayi	hypothetical protein	0.0676	0.8502	1
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Schistosoma mansoni	tyrosine kinase	0.019	0.1445	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Echinococcus granulosus	neuroglian	0.0528	0.636	0.6292
Onchocerca volvulus		0.0195	0.1518	0.6519
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0185	0.0004
Echinococcus granulosus	titin	0.0244	0.2231	0.2087
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0195	0.1518	0.1464
Echinococcus granulosus	anosmin 1	0.0195	0.1518	0.1361
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0481	0.5667	0.6593
Onchocerca volvulus		0.0195	0.1518	0.6519
Brugia malayi	Peroxidasin	0.0103	0.0185	0.0004
Onchocerca volvulus		0.0195	0.1518	0.6519
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0282	0.2781	0.2648
Echinococcus multilocularis	STE20 serine:threonine protein kinase	0.0535	0.645	0.6385
Onchocerca volvulus		0.0195	0.1518	0.6519
Echinococcus multilocularis	transfer RNA-Phe	0.0243	0.221	0.2066
Brugia malayi	Fibronectin type III domain containing protein	0.0195	0.1518	0.1606
Echinococcus granulosus	titin	0.0244	0.2231	0.2087
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0195	0.1518	0.1361
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0195	0.1518	0.1361
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0251	0.2323	0.2574
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0195	0.1518	0.1464
Echinococcus granulosus	twitchin	0.053	0.638	0.6313
Schistosoma mansoni	protein tyrosine phosphatase	0.0195	0.1518	0.1464
Loa Loa (eye worm)	hypothetical protein	0.0481	0.5667	0.6593
Schistosoma mansoni	serine/threonine protein kinase	0.0244	0.2231	0.2246
Schistosoma mansoni	factor for adipocyte differentiation	0.0195	0.1518	0.1464
Schistosoma mansoni	cell adhesion molecule	0.0298	0.3016	0.3106
Schistosoma mansoni	titin	0.0244	0.2231	0.2246
Loa Loa (eye worm)	CAMK protein kinase	0.0244	0.2231	0.2463
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0481	0.5667	0.6011
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Onchocerca volvulus		0.0195	0.1518	0.6519
Entamoeba histolytica	protein kinase domain containing protein	0.0091	0	0.5
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0195	0.1518	0.5
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0536	0.6473	0.6408
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.0195	0.1518	0.5
Echinococcus granulosus	G1Y162 protein	0.0195	0.1518	0.1361
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0243	0.221	0.2438
Echinococcus multilocularis	titin	0.0195	0.1518	0.1361
Schistosoma mansoni	cell adhesion molecule	0.0243	0.221	0.2223
Schistosoma mansoni	hypothetical protein	0.0195	0.1518	0.1464
Loa Loa (eye worm)	hypothetical protein	0.0533	0.643	0.751
Onchocerca volvulus		0.0195	0.1518	0.6519
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0298	0.3016	0.2887
Entamoeba histolytica	tyrosin kinase, putative	0.0091	0	0.5
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0195	0.1518	0.1606
Echinococcus granulosus	usherin	0.0195	0.1518	0.1361
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Brugia malayi	Protein kinase domain containing protein	0.0186	0.1387	0.145
Echinococcus multilocularis	Fibronectin, type III	0.0195	0.1518	0.1361
Echinococcus multilocularis	titin	0.0244	0.2231	0.2087
Echinococcus granulosus	anosmin 1	0.0195	0.1518	0.1361
Echinococcus multilocularis	neuroglian	0.0298	0.3016	0.2887
Schistosoma mansoni	tripartite motif protein trim9	0.0195	0.1518	0.1464
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0243	0.221	0.2438
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0195	0.1518	0.1606
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0195	0.1518	0.1464
Echinococcus multilocularis	Immunoglobulin	0.0481	0.5667	0.5587
Loa Loa (eye worm)	TK/ROR protein kinase	0.0135	0.0639	0.055
Schistosoma mansoni	neuroglian	0.0298	0.3016	0.3106
Onchocerca volvulus		0.0195	0.1518	0.6519
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0676	0.8502	1
Loa Loa (eye worm)	hypothetical protein	0.0536	0.6473	0.7562
Onchocerca volvulus		0.0243	0.221	0.9899
Echinococcus granulosus	roundabout 2	0.0298	0.3016	0.2887
Schistosoma mansoni	cell adhesion molecule	0.0243	0.221	0.2223
Brugia malayi	Fibronectin type III domain containing protein	0.0195	0.1518	0.1606
Echinococcus granulosus	neuroglian	0.0298	0.3016	0.2887
Loa Loa (eye worm)	hypothetical protein	0.0584	0.7165	0.8394
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.221	0.2438
Schistosoma mansoni	hypothetical protein	0.0195	0.1518	0.1464
Loa Loa (eye worm)	UNCoordinated family member	0.0195	0.1518	0.1606
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0298	0.3016	0.2887
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Loa Loa (eye worm)	STE/STE20/SLK protein kinase	0.0186	0.1387	0.145
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0195	0.1518	0.1361
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.221	0.2438
Schistosoma mansoni	hypothetical protein	0.0243	0.221	0.2223
Brugia malayi	Fibronectin type III domain containing protein	0.0676	0.8502	1
Echinococcus granulosus	contactin	0.0298	0.3016	0.2887
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.221	0.2438
Onchocerca volvulus		0.0243	0.221	0.9899
Schistosoma mansoni	cell adhesion molecule	0.0731	0.9307	1
Loa Loa (eye worm)	lethal protein 805	0.0195	0.1518	0.1606
Echinococcus multilocularis	neuroglian	0.0528	0.636	0.6292
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0298	0.3016	0.3407
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0135	0.0639	0.055
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0195	0.1518	0.1361
Echinococcus multilocularis	cell adhesion molecule	0.0195	0.1518	0.1361
Onchocerca volvulus		0.0244	0.2231	1
Loa Loa (eye worm)	hypothetical protein	0.0298	0.3016	0.3407
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0195	0.1518	0.1606
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0244	0.2231	0.2463
Loa Loa (eye worm)	hypothetical protein	0.0243	0.221	0.2438
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0244	0.2231	0.2463
Loa Loa (eye worm)	projectin	0.0243	0.221	0.2438
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0298	0.3016	0.3407
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0623	0.7736	0.908
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.03	0.3037	0.3432
Echinococcus multilocularis	Netrin receptor DCC	0.0195	0.1518	0.1361
Echinococcus granulosus	fibronectin type III domain-containing protein	0.0195	0.1518	0.1361
Onchocerca volvulus		0.0195	0.1518	0.6519
Brugia malayi	Lethal protein 805	0.0195	0.1518	0.1606
Loa Loa (eye worm)	TK protein kinase	0.0135	0.0639	0.055
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0251	0.2323	0.2182
Brugia malayi	hypothetical protein	0.0195	0.1518	0.1606
Echinococcus granulosus	nephrin	0.0243	0.221	0.2066
Echinococcus granulosus	EG95	0.0195	0.1518	0.1361
Echinococcus multilocularis	anosmin 1	0.0195	0.1518	0.1361
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0195	0.1518	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Onchocerca volvulus		0.0195	0.1518	0.6519
Echinococcus multilocularis	roundabout 2	0.0298	0.3016	0.2887
Brugia malayi	Fibronectin type III domain containing protein	0.0195	0.1518	0.1606
Loa Loa (eye worm)	CAMK/CAMKL/NUAK protein kinase	0.0567	0.6915	0.8094
Echinococcus granulosus	Fibronectin type III	0.0195	0.1518	0.1361
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0298	0.3016	0.3407
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0298	0.3016	0.2887
Loa Loa (eye worm)	myotactin form A	0.0195	0.1518	0.1606
Echinococcus granulosus	Netrin receptor DCC	0.0195	0.1518	0.1361
Echinococcus granulosus	STE20 serine:threonine protein kinase	0.0535	0.645	0.6385
Echinococcus granulosus	anosmin 1	0.0195	0.1518	0.1361
Echinococcus multilocularis	Phosphotidylinositol phosphatase PTPRQ	0.0195	0.1518	0.1361
Brugia malayi	myotactin form B	0.0195	0.1518	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0584	0.7165	0.8394
Schistosoma mansoni	factor for adipocyte differentiation	0.0195	0.1518	0.1464
Schistosoma mansoni	ephrin receptor	0.0282	0.2781	0.2849
Schistosoma mansoni	vesicular amine transporter	0.0481	0.5667	0.6011
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0728	0.9267	0.9253
Echinococcus multilocularis	peroxidasin	0.0103	0.0185	0.0003
Echinococcus granulosus	peroxidasin	0.0103	0.0185	0.0003
Echinococcus multilocularis	roundabout 2	0.0298	0.3016	0.2887
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0298	0.3016	0.3106
Schistosoma mansoni	hemicentin	0.0243	0.221	0.2223
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0195	0.1518	0.1361
Echinococcus multilocularis	fibronectin type III domain-containing protein	0.0195	0.1518	0.1361
Onchocerca volvulus	Tyrosine kinase homolog	0.0135	0.0639	0.2234
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0195	0.1518	0.1606
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0243	0.221	0.2438
Loa Loa (eye worm)	hypothetical protein	0.0676	0.8502	1
Echinococcus granulosus	defective proboscis extension response	0.0481	0.5667	0.5587
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0195	0.1518	0.1606
Brugia malayi	Fibronectin type III domain containing protein	0.0195	0.1518	0.1606
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.221	0.2438
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0195	0.1518	0.5
Echinococcus granulosus	Netrin receptor DCC	0.0195	0.1518	0.1361
Brugia malayi	Lethal protein 805	0.0195	0.1518	0.1606
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0251	0.2323	0.2182
Echinococcus multilocularis	Immunoglobulin	0.0481	0.5667	0.5587
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0135	0.0639	0.0466
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0243	0.221	0.2066
Schistosoma mansoni	myosin-binding protein-related	0.0243	0.221	0.2223
Schistosoma mansoni	protein kinase	0.0186	0.1387	0.1322
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0195	0.1518	0.1606
Echinococcus multilocularis	usherin	0.0195	0.1518	0.1361
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0195	0.1518	0.1464
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0298	0.3016	0.3407
Schistosoma mansoni	nephrin	0.0298	0.3016	0.3106
Echinococcus granulosus	Immunoglobulin	0.0481	0.5667	0.5587
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0623	0.7736	0.908
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0251	0.2323	0.2574
Onchocerca volvulus		0.0195	0.1518	0.6519
Brugia malayi	protein unc-22	0.0244	0.2231	0.2463
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Brugia malayi	SPRY domain containing protein	0.0195	0.1518	0.1606
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.221	0.2438
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1518	0.1606
Schistosoma mansoni	titin	0.0195	0.1518	0.1464
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.221	0.2438

Activities

Activity type	Activity value	Assay description	Source	Reference
Metabolism (functional)	= 9.2 uM min-1mg-1	NADH oxidation is used as a measure of the compound metabolism since 1 mol of NADH is oxidized for each mole of compound that is reduced	ChEMBL.	11563930
Metabolism (functional)	= 9.200000000000001 uM min-1mg-1	NADH oxidation is used as a measure of the compound metabolism since 1 mol of NADH is oxidized for each mole of compound that is reduced	ChEMBL.	11563930

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

PubChem: 10495530

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 185896