TDR Targets

Basic information

Technical information

TDR Targets ID: 797578
Name: 4-[(4-acetylphenyl)amino]-3-nitrochromen-2-on e
MW: 324.288 | Formula: C17H12N2O5
H donors: 1 H acceptors: 4 LogP: 3.44 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1c(=O)oc2c(c1Nc1ccc(cc1)C(=O)C)cccc2
InChi: 1S/C17H12N2O5/c1-10(20)11-6-8-12(9-7-11)18-15-13-4-2-3-5-14(13)24-17(21)16(15)19(22)23/h2-9,18H,1H3
InChiKey: GYRICMOXRDZDFT-UHFFFAOYSA-N

Network

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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

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Clustering layers

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Synonyms

4-[(4-acetylphenyl)amino]-3-nitro-chromen-2-one
4-[(4-acetylphenyl)amino]-3-nitro-2-chromenone
4-[(4-acetylphenyl)amino]-3-nitro-coumarin
4-[(4-ethanoylphenyl)amino]-3-nitro-chromen-2-one
A2196/0092383
ZINC04182438
4-(4-Acetyl-phenylamino)-3-nitro-chromen-2-one
BAS 01083447

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
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.009	0.1428	0.1428
Treponema pallidum	sodium- and chloride- dependent transporter	0.0529	1	0.5
Toxoplasma gondii	microneme protein MIC17A	0.0035	0.0349	0.0509
Toxoplasma gondii	hypothetical protein	0.009	0.1428	0.2339
Brugia malayi	Phosphatidylinositol-specific phospholipase C, X domain containing protein	0.0019	0.0049	0.0049
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.009	0.1428	0.1428
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.009	0.1428	0.1428
Plasmodium falciparum	acyl-CoA synthetase	0.0036	0.0374	0.1161
Toxoplasma gondii	PAN domain-containing protein	0.0321	0.5945	1
Brugia malayi	PAN domain containing protein	0.0035	0.0349	0.0349
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0611	0.5424
Schistosoma mansoni	casein kinase II beta subunit	0.0073	0.1102	0.1102
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0182	0.3223	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0073	0.1102	1
Brugia malayi	Protein kinase domain containing protein	0.0053	0.0717	0.0717
Loa Loa (eye worm)	casein kinase II	0.0021	0.0092	0.0092
Echinococcus multilocularis	1 phosphatidylinositol 4,5 bisphosphate	0.0019	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.009	0.1428	0.1428
Toxoplasma gondii	kringle domain-containing protein	0.0053	0.0717	0.1133
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0374	0.0374
Plasmodium vivax	phospholipase C-like, putative	0.0018	0.0028	0.0087
Onchocerca volvulus		0.009	0.1428	0.1428
Brugia malayi	Variant SH3 domain containing protein	0.0132	0.2252	0.2252
Schistosoma mansoni	lipoxygenase	0.0099	0.1616	0.1616
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0035	0.0349	0.0509
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0073	0.1102	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0182	0.3223	1
Loa Loa (eye worm)	phosphatidylinositol-specific phospholipase C	0.0019	0.0049	0.0049
Brugia malayi	PAN domain containing protein	0.0035	0.0349	0.0349
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0611	0.5424
Toxoplasma gondii	hypothetical protein	0.0035	0.0349	0.0509
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0182	0.3223	1
Toxoplasma gondii	PAN domain-containing protein	0.0035	0.0349	0.0509
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0611	0.083
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0349	0.0349
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.009	0.1428	0.1428
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0611	0.0611
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.009	0.1428	0.1428
Brugia malayi	PAN domain containing protein	0.0035	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0349	0.0349
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Echinococcus multilocularis	sodium and chloride dependent glycine	0.009	0.1428	0.1428
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0611	0.0611
Brugia malayi	casein kinase II, putaitve	0.0021	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0529	1	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.009	0.1428	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0028	0.0028
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0182	0.3223	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0529	1	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.009	0.1428	0.1428
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.009	0.1428	0.1428
Onchocerca volvulus		0.0035	0.0349	0.0349
Loa Loa (eye worm)	PAN domain-containing protein	0.0035	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.009	0.1428	0.1428
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0073	0.1102	1
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0073	0.1102	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0036	0.0374	0.0132
Plasmodium vivax	hypothetical protein, conserved	0.009	0.1428	0.4431
Plasmodium falciparum	phosphoinositide-specific phospholipase C	0.0018	0.0028	0.0087
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Schistosoma mansoni	sodium-dependent amino acid transporter	0.009	0.1428	0.1428
Schistosoma mansoni	hypothetical protein	0.0053	0.0717	0.0717
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0048	0.0611	0.0951
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Toxoplasma gondii	microneme protein MIC4	0.0035	0.0349	0.0509
Loa Loa (eye worm)	hypothetical protein	0.009	0.1428	0.1428
Toxoplasma gondii	ck2 beta subunit	0.0073	0.1102	0.1786
Toxoplasma gondii	PAN domain-containing protein	0.0035	0.0349	0.0509
Plasmodium falciparum	transporter, putative	0.009	0.1428	0.4431
Brugia malayi	Phosphatidylinositol-specific phospholipase C, X domain containing protein	0.0018	0.0028	0.0028
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0073	0.1102	0.1102
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0611	0.0611
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0611	0.083
Onchocerca volvulus		0.0019	0.0049	0.0049
Loa Loa (eye worm)	Csnk2b protein	0.0073	0.1102	0.1102
Brugia malayi	Kringle domain containing protein	0.0053	0.0717	0.0717
Toxoplasma gondii	microneme protein MIC17B	0.0035	0.0349	0.0509
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0048	0.0611	0.0951
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0349	0.0349
Onchocerca volvulus		0.0035	0.0349	0.0349
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.009	0.1428	0.1428
Brugia malayi	PAN domain containing protein	0.0035	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0374	0.0374
Loa Loa (eye worm)	TK/ROR protein kinase	0.0053	0.0717	0.0717
Plasmodium vivax	acyl-CoA synthetase, putative	0.0036	0.0374	0.1161
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.009	0.1428	0.1428
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Loa Loa (eye worm)	hypothetical protein	0.0529	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0529	1	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.1428	0.1428
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0529	1	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.009	0.1428	0.1428
Onchocerca volvulus		0.009	0.1428	0.1428
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.009	0.1428	0.1428
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.009	0.1428	0.1428
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Plasmodium falciparum	amino acid transporter, putative	0.009	0.1428	0.4431
Echinococcus granulosus	casein kinase ii subunit beta	0.0073	0.1102	0.1102
Toxoplasma gondii	hypothetical protein	0.009	0.1428	0.2339
Loa Loa (eye worm)	serotonin transporter b	0.0529	1	1
Onchocerca volvulus		0.0035	0.0349	0.0349
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0611	0.083
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.009	0.1428	0.2339
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0374	0.0374
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0035	0.0349	0.0509
Toxoplasma gondii	PAN domain-containing protein	0.0035	0.0349	0.0509
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Echinococcus multilocularis	casein kinase ii subunit beta	0.0073	0.1102	0.1102
Echinococcus granulosus	sodium and chloride dependent glycine	0.009	0.1428	0.1428
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0182	0.3223	0.5
Onchocerca volvulus		0.0035	0.0349	0.0349
Onchocerca volvulus		0.0035	0.0349	0.0349
Toxoplasma gondii	microneme protein, putative	0.0035	0.0349	0.0509
Onchocerca volvulus		0.0035	0.0349	0.0349
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.009	0.1428	0.1428
Loa Loa (eye worm)	PAN domain-containing protein	0.0035	0.0349	0.0349
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0048	0.0611	0.083
Trypanosoma cruzi	hypothetical protein, conserved	0.0053	0.0717	0.6344
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0611	0.5133
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0611	0.5424
Plasmodium vivax	amine transporter, putative	0.009	0.1428	0.4431
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0073	0.1102	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.1428	0.1428
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0073	0.1102	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.009	0.1428	0.1428
Plasmodium falciparum	cysteine repeat modular protein 1	0.0053	0.0717	0.2225
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0049	0.0049
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Loa Loa (eye worm)	Plcb4 protein	0.0018	0.0028	0.0028
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0073	0.1102	0.1102
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0349	0.0349
Loa Loa (eye worm)	norepinephrine transporter	0.0529	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.009	0.1428	0.1428
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0182	0.3223	0.5384
Onchocerca volvulus		0.0529	1	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0035	0.0349	0.0349
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.009	0.1428	0.1428
Schistosoma mansoni	sodium/chloride dependent transporter	0.009	0.1428	0.1428
Toxoplasma gondii	subtilisin SUB12	0.0035	0.0349	0.0509
Echinococcus granulosus	tissue type plasminogen activator	0.0053	0.0717	0.0717
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.009	0.1428	0.1428
Toxoplasma gondii	hypothetical protein	0.0035	0.0349	0.0509
Toxoplasma gondii	microneme protein MIC17C	0.0035	0.0349	0.0509
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0611	0.5133
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0349	0.0349
Onchocerca volvulus		0.0035	0.0349	0.0349
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Plasmodium falciparum	casein kinase II beta chain	0.0073	0.1102	0.342
Leishmania major	phospholipase c-like protein	0.0019	0.0049	0.0197
Onchocerca volvulus		0.009	0.1428	0.1428
Loa Loa (eye worm)	hypothetical protein	0.009	0.1428	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0349	0.0349
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.009	0.1428	0.1428
Brugia malayi	Csnk2b protein	0.0073	0.1102	0.1102
Echinococcus multilocularis	serotonin transporter	0.0529	1	1
Brugia malayi	1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4	0.0018	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0611	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0349	0.0349
Brugia malayi	PAN domain containing protein	0.0035	0.0349	0.0349
Entamoeba histolytica	acyl-coA synthetase, putative	0.0048	0.0611	0.5133
Toxoplasma gondii	PAN domain-containing protein	0.0321	0.5945	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0099	0.1616	0.1616
Schistosoma mansoni	sodium/chloride dependent transporter	0.0529	1	1
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0073	0.1102	1
Toxoplasma gondii	PAN domain-containing protein	0.0035	0.0349	0.0509
Brugia malayi	PAN domain containing protein	0.0035	0.0349	0.0349
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.009	0.1428	0.2339
Brugia malayi	PAN domain containing protein	0.0035	0.0349	0.0349
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0132	0.2252	0.2252
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0374	0.0374
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0182	0.3223	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.009	0.1428	0.1428
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0182	0.3223	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0717	0.0717
Loa Loa (eye worm)	PAN domain-containing protein	0.0035	0.0349	0.0349
Echinococcus granulosus	serotonin transporter	0.0529	1	1
Leishmania major	hypothetical protein, conserved	0.0053	0.0717	0.6416
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0073	0.1102	0.1786
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0611	0.0611
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0048	0.0611	0.083
Echinococcus multilocularis	tissue type plasminogen activator	0.0053	0.0717	0.0717
Plasmodium vivax	casein kinase II beta chain, putative	0.0073	0.1102	0.342
Echinococcus multilocularis	sodium and chloride dependent glycine	0.009	0.1428	0.1428
Brugia malayi	PAN domain containing protein	0.0035	0.0349	0.0349
Onchocerca volvulus		0.0019	0.0049	0.0049
Trichomonas vaginalis	hypothetical protein	0.0182	0.3223	1
Brugia malayi	PAN domain containing protein	0.0035	0.0349	0.0349
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.009	0.1428	0.1428
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0048	0.0611	0.083
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0374	0.0374
Onchocerca volvulus		0.0035	0.0349	0.0349
Schistosoma mansoni	sodium/chloride dependent transporter	0.009	0.1428	0.1428
Onchocerca volvulus		0.0053	0.0717	0.0717
Plasmodium vivax	casein kinase II beta chain, putative	0.0073	0.1102	0.342
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.009	0.1428	0.3699
Brugia malayi	hypothetical protein	0.009	0.1428	0.1428
Echinococcus granulosus	1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4	0.0019	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.009	0.1428	0.1428
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0048	0.0611	0.083
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0611	0.083
Onchocerca volvulus		0.0048	0.0611	0.0611
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0053	0.0717	0.2225
Onchocerca volvulus		0.0035	0.0349	0.0349
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0611	0.0611
Loa Loa (eye worm)	PAN domain-containing protein	0.0035	0.0349	0.0349
Plasmodium falciparum	casein kinase II beta chain	0.0073	0.1102	0.342
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.009	0.1428	0.1428
Onchocerca volvulus		0.0035	0.0349	0.0349
Schistosoma mansoni	lipoxygenase	0.007	0.1032	0.1032
Brugia malayi	PAN domain containing protein	0.0035	0.0349	0.0349
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0099	0.1616	0.1616
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0073	0.1102	0.3226
Onchocerca volvulus		0.0035	0.0349	0.0349
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.009	0.1428	0.2339
Schistosoma mansoni	phospholipase C beta	0.0018	0.0028	0.0028
Giardia lamblia	Casein kinase II beta chain	0.0073	0.1102	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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 797578