TDR Targets

Basic information

Technical information

TDR Targets ID: 658393
Name: 3-fluoro-N-[3-methyl-4-(2-oxochromen-3-yl)phe nyl]benzamide
MW: 373.376 | Formula: C23H16FNO3
H donors: 1 H acceptors: 2 LogP: 4.84 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)C(=O)Nc1ccc(c(c1)C)c1cc2ccccc2oc1=O
InChi: 1S/C23H16FNO3/c1-14-11-18(25-22(26)16-6-4-7-17(24)12-16)9-10-19(14)20-13-15-5-2-3-8-21(15)28-23(20)27/h2-13H,1H3,(H,25,26)
InChiKey: VWDAOBZDIYWZOC-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

3-fluoro-N-[3-methyl-4-(2-oxo-3-chromenyl)phenyl]benzamide
3-fluoro-N-[4-(2-ketochromen-3-yl)-3-methyl-phenyl]benzamide
Oprea1_726218

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	inositol monophosphatase 1	0.0041	0.0413	0.0413
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0189	0.2537	1
Toxoplasma gondii	ABC1 family protein	0.004	0.0398	0.1569
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0108	0.0108
Echinococcus multilocularis	muscleblind protein 1	0.0161	0.2138	0.2138
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0037	0.0351	0.1382
Mycobacterium leprae	Probable lipase LipE	0.004	0.0398	0.1569
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0398	0.0398
Echinococcus multilocularis	muscleblind protein	0.0161	0.2138	0.2138
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0413	1
Brugia malayi	beta-lactamase family protein	0.004	0.0398	0.1862
Loa Loa (eye worm)	hypothetical protein	0.004	0.0398	0.1862
Echinococcus granulosus	inositol monophosphatase 1	0.0041	0.0413	0.0413
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0398	0.9635
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0108	0.0426
Loa Loa (eye worm)	hypothetical protein	0.004	0.0398	0.1862
Mycobacterium ulcerans	beta-lactamase	0.004	0.0398	0.1569
Loa Loa (eye worm)	hypothetical protein	0.004	0.0398	0.1862
Echinococcus granulosus	muscleblind protein	0.0161	0.2138	0.2138
Loa Loa (eye worm)	hypothetical protein	0.004	0.0398	0.1862
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0108	0.0426
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.1672	0.7819
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0108	0.0505
Echinococcus multilocularis	geminin	0.019	0.2557	0.2557
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0108	0.0505
Onchocerca volvulus		0.004	0.0398	1
Onchocerca volvulus		0.004	0.0398	1
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0189	0.2537	1
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0189	0.2537	0.7173
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0108	0.0426
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0189	0.2537	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0108	0.0426
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0041	0.0413	1
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0189	0.2537	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0398	0.1862
Schistosoma mansoni	microtubule-associated protein tau	0.0707	1	1
Echinococcus granulosus	geminin	0.019	0.2557	0.2557
Mycobacterium tuberculosis	Probable lipase LipE	0.004	0.0398	0.1126
Mycobacterium tuberculosis	Conserved protein	0.004	0.0398	0.1126
Mycobacterium tuberculosis	Probable lipase LipD	0.004	0.0398	0.1126
Mycobacterium tuberculosis	Conserved protein	0.004	0.0398	0.1126
Schistosoma mansoni	inositol monophosphatase	0.0041	0.0413	0.0413
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0398	0.1194
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0258	0.3537	1
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0398	0.1194
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.1672	0.7819
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.0413	0.1256
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.0398	0.1569
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0398	0.0398
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0108	0.2615
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0398	0.1862
Schistosoma mansoni	hypothetical protein	0.019	0.2557	0.2557
Loa Loa (eye worm)	inositol-1	0.0041	0.0413	0.1933
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0037	0.0351	0.0991
Mycobacterium leprae	conserved hypothetical protein	0.004	0.0398	0.1569
Schistosoma mansoni	ap endonuclease	0.002	0.0108	0.0108
Mycobacterium tuberculosis	Probable hydrolase	0.004	0.0398	0.1126
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0041	0.0413	0.1629
Brugia malayi	beta-lactamase family protein	0.004	0.0398	0.1862
Brugia malayi	beta-lactamase	0.004	0.0398	0.1862
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0108	0.5
Loa Loa (eye worm)	beta-lactamase	0.004	0.0398	0.1862
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0398	0.0398
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0108	0.0108
Schistosoma mansoni	inositol monophosphatase	0.0041	0.0413	0.0413
Trichomonas vaginalis	esterase, putative	0.004	0.0398	0.1194
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0108	0.2615
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0398	0.1194
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0398	0.1194
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0108	0.2615
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0189	0.2537	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0041	0.0413	0.1629
Onchocerca volvulus		0.004	0.0398	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0041	0.0413	0.1256
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0108	0.2615
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0398	0.1862
Mycobacterium ulcerans	hypothetical protein	0.004	0.0398	0.1569
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0108	0.2615
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0189	0.2537	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0041	0.0413	0.1629
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0108	0.0306
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0189	0.2537	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.004	0.0398	0.1126
Leishmania major	hypothetical protein, conserved	0.004	0.0398	0.9635
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0398	0.0398
Mycobacterium ulcerans	lipase LipD	0.004	0.0398	0.1569
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0413	1
Toxoplasma gondii	exonuclease III APE	0.002	0.0108	0.0426
Schistosoma mansoni	hypothetical protein	0.019	0.2557	0.2557
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0398	0.1194
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.0398	0.1569
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0413	1
Schistosoma mansoni	ap endonuclease	0.002	0.0108	0.0108
Echinococcus multilocularis	microtubule associated protein 2	0.0707	1	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.0413	1
Mycobacterium tuberculosis	Conserved protein	0.004	0.0398	0.1126
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0398	0.1569
Loa Loa (eye worm)	hypothetical protein	0.004	0.0398	0.1862
Brugia malayi	Inositol-1	0.0041	0.0413	0.1933
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0398	0.9635
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.0413	0.1256
Loa Loa (eye worm)	hypothetical protein	0.0161	0.2138	1
Loa Loa (eye worm)	hypothetical protein	0.0161	0.2138	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.004	0.0398	0.1126
Trichomonas vaginalis	hypothetical protein	0.0189	0.2537	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.004	0.0398	0.1126
Mycobacterium tuberculosis	Probable esterase LipL	0.004	0.0398	0.1126
Brugia malayi	MH2 domain containing protein	0.0129	0.1672	0.7819
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0108	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0398	0.9635
Brugia malayi	Muscleblind-like protein	0.0161	0.2138	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

Search by Saint Jude

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 658393