TDR Targets

Basic information

Technical information

TDR Targets ID: 257289
Name: 2-(2,6-dichloro-3-methylanilino)-N-[(4-nitrop henyl)methoxy]benzamide
MW: 446.283 | Formula: C21H17Cl2N3O4
H donors: 2 H acceptors: 3 LogP: 6.28 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1Nc1c(Cl)ccc(c1Cl)C)NOCc1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C21H17Cl2N3O4/c1-13-6-11-17(22)20(19(13)23)24-18-5-3-2-4-16(18)21(27)25-30-12-14-7-9-15(10-8-14)26(28)29/h2-11,24H,12H2,1H3,(H,25,27)
InChiKey: RKWMWTYLVQBARR-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

2-(2,6-dichloro-3-methyl-anilino)-N-[(4-nitrophenyl)methoxy]benzamide
2-[(2,6-dichloro-3-methyl-phenyl)amino]-N-[(4-nitrophenyl)methoxy]benzamide
2-(2,6-dichloro-3-methyl-anilino)-N-(4-nitrobenzyl)oxy-benzamide
2-[(2,6-dichloro-3-methylphenyl)amino]-N-[(4-nitrophenyl)methoxy]benzamide
2-[(2,6-dichloro-3-methyl-phenyl)amino]-N-(4-nitrobenzyl)oxy-benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Ovis aries	Cyclooxygenase-1	Starlite/ChEMBL	References

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
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.035	0.5565	0.9803
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.4463	0.7691
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Leishmania major	casein kinase II, putative	0.0153	0.2304	1
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.0616	0.9963	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0247	0.0594
Entamoeba histolytica	casein kinase, putative	0.0153	0.2304	0.5162
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0106	0.046
Trypanosoma brucei	DNA polymerase IV, putative	0.0033	0.0321	0.1394
Brugia malayi	hypothetical protein	0.0048	0.0555	0.1335
Plasmodium vivax	unspecified product	0.0153	0.2304	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0247	0.0902
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0056	0.0689	0.1657
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.0828	0.3594
Entamoeba histolytica	hypothetical protein	0.0023	0.0143	0.0321
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0914	0.2198
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0127	0.187	0.336
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.2304	0.3577
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0084	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0084	0.0203
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.0106	0.019
Mycobacterium ulcerans	glutaminase	0.0265	0.4159	0.409
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0284	0.4463	1
Onchocerca volvulus	Peroxidase homolog	0.0048	0.0555	0.135
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.0828	0.3594
Brugia malayi	Doublecortin family protein	0.0019	0.0084	0.0203
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0.0106	0.046
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Echinococcus multilocularis	dna polymerase kappa	0.004	0.0427	0.1854
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.0239	0.3718	0.668
Schistosoma mansoni	rab6-interacting	0.0019	0.0084	0.0203
Echinococcus granulosus	RUN	0.0019	0.0084	0.0366
Brugia malayi	Peroxidasin	0.0048	0.0555	0.1335
Brugia malayi	Pre-SET motif family protein	0.0202	0.3111	0.748
Trypanosoma brucei	PAB1-binding protein , putative	0.0017	0.0043	0.0187
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.0689	0.1657
Mycobacterium tuberculosis	Probable penicillin-binding membrane protein PbpB	0.0221	0.3426	0.6156
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0084	0.0366
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0247	0.0594
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.0618	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0056	0.0689	0.2991
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.0239	0.3718	0.364
Leishmania major	hypothetical protein, conserved	0.0017	0.0043	0.0187
Brugia malayi	glutaminase DH11.1	0.0265	0.4159	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.0828	0.1991
Onchocerca volvulus	Peroxidasin homolog	0.0048	0.0555	0.135
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0427	0.1854
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0084	0.0366
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0143	0.0621
Entamoeba histolytica	protein kinase domain containing protein	0.0153	0.2304	0.5162
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Plasmodium vivax	SET domain protein, putative	0.0029	0.0247	0.0902
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.4463	0.7691
Trypanosoma cruzi	PAB1-binding protein , putative	0.0017	0.0043	0.0187
Brugia malayi	Blistered cuticle protein 3	0.0048	0.0555	0.1335
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0127	0.187	0.3122
Trichomonas vaginalis	conserved hypothetical protein	0.0357	0.5674	1
Leishmania major	DNA polymerase kappa, putative	0.002	0.0106	0.046
Schistosoma mansoni	lipoxygenase	0.0115	0.1662	0.3997
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0084	0.0366
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0153	0.2304	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0081	0.1103	0.2652
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0023	0.0143	0.0442
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0139	0.2061	0.3704
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0284	0.4463	1
Echinococcus granulosus	L aminoadipate semialdehyde	0.0081	0.1103	0.4788
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.0689	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0043	0.0104
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0153	0.2304	1
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.0627	0.1508
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Onchocerca volvulus		0.0048	0.0555	0.135
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.0828	0.1991
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0081	0.1103	0.4788
Schistosoma mansoni	glutaminase	0.0265	0.4159	1
Mycobacterium leprae	Probable penicillin-binding membrane protein PbpB	0.0221	0.3426	0.5935
Brugia malayi	Protein kinase domain containing protein	0.0079	0.1076	0.2588
Schistosoma mansoni	loxhd1	0.0019	0.0084	0.0203
Trichomonas vaginalis	set domain proteins, putative	0.023	0.3573	0.5995
Leishmania major	phosphopantetheinyl transferase-like protein	0.0023	0.0143	0.0621
Mycobacterium tuberculosis	Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase	0.0118	0.1724	0.3097
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0828	0.3594
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0084	0.0203
Brugia malayi	hypothetical protein	0.0019	0.0084	0.0203
Schistosoma mansoni	rab6-interacting	0.0019	0.0084	0.0203
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.4463	0.7691
Onchocerca volvulus	Dual oxidase homolog	0.0048	0.0555	0.135
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.2304	0.3577
Giardia lamblia	Kinase, CMGC CK2	0.0153	0.2304	0.5045
Echinococcus multilocularis	RUN	0.0019	0.0084	0.0366
Onchocerca volvulus	Peroxidasin homolog	0.0048	0.0555	0.135
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0034	0.0147
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	0.0357	0.5674	1
Trypanosoma brucei	unspecified product	0.0033	0.0321	0.1394
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0247	0.0594
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.2304	0.3577
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0247	0.1072
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.0239	0.3718	0.6463
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0081	0.1103	0.2652
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.0689	0.2991
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0247	0.1072
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0115	0.1662	0.7215
Loa Loa (eye worm)	glutaminase 2	0.0265	0.4159	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0267	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Echinococcus granulosus	dna polymerase kappa	0.004	0.0427	0.1854
Schistosoma mansoni	lipoxygenase	0.008	0.1092	0.2626
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0267	0.1158
Giardia lamblia	Fructose-bisphosphate aldolase	0.0284	0.4463	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0247	0.0594
Echinococcus granulosus	peroxidasin	0.0048	0.0555	0.2411
Brugia malayi	Animal haem peroxidase family protein	0.0048	0.0555	0.1335
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.035	0.5565	0.5522
Brugia malayi	Animal haem peroxidase family protein	0.0048	0.0555	0.1335
Onchocerca volvulus		0.0081	0.1103	0.2921
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0828	0.3594
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.0828	0.1991
Trypanosoma brucei	DNA polymerase kappa, putative	0.003	0.0267	0.1158
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0381	0.1655
Brugia malayi	Pre-SET motif family protein	0.0029	0.0247	0.0594
Onchocerca volvulus		0.0048	0.0555	0.135
Schistosoma mansoni	peroxidasin	0.0048	0.0555	0.1335
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0115	0.1662	0.7215
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0381	0.1655
Brugia malayi	Animal haem peroxidase family protein	0.0048	0.0555	0.1335
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0247	0.1072
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0034	0.0147
Treponema pallidum	fructose-bisphosphate aldolase	0.0284	0.4463	0.4382
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.4463	0.7691
Schistosoma mansoni	hypothetical protein	0.0019	0.0084	0.0203
Schistosoma mansoni	peroxidasin	0.0048	0.0555	0.1335
Echinococcus granulosus	casein kinase ii subunit alpha	0.0153	0.2304	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0056	0.0689	0.1238
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.4463	0.7691
Treponema pallidum	penicillin-binding protein (pbp-2)	0.0357	0.5674	0.5611
Loa Loa (eye worm)	animal heme peroxidase	0.0048	0.0555	0.1335
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0139	0.2061	0.1953
Onchocerca volvulus		0.0029	0.0247	0.0467
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0143	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Onchocerca volvulus		0.023	0.3573	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0084	0.0182
Chlamydia trachomatis	transglycolase/transpeptidase	0.0348	0.5528	0.5464
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0127	0.187	0.1759
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.2304	0.3577
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.2304	0.3577
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.035	0.5565	1
Brugia malayi	hypothetical protein	0.0019	0.0084	0.0203
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0247	0.0594
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0229	0.0996
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0084	0.0182
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0023	0.0143	0.0442
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.3111	0.748
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0153	0.2304	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0084	0.0366
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.0689	0.2991
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.4463	0.7691
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.0828	0.1855
Loa Loa (eye worm)	hypothetical protein	0.0081	0.1103	0.2652
Loa Loa (eye worm)	TK/ALK protein kinase	0.0079	0.1076	0.2587
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0084	0.0366
Brugia malayi	Casein kinase II, alpha chain	0.0153	0.2304	0.5539
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0427	0.0289
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.4463	0.7691
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.2304	0.3577
Loa Loa (eye worm)	animal heme peroxidase	0.0048	0.0555	0.1335
Loa Loa (eye worm)	glutaminase	0.0265	0.4159	1
Trichomonas vaginalis	glutaminase, putative	0.0265	0.4159	0.7113
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Trypanosoma brucei	Casein kinase II	0.0153	0.2304	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Onchocerca volvulus	Peroxidase homolog	0.0048	0.0555	0.135
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0084	0.0203
Trypanosoma cruzi	PAB1-binding protein , putative	0.0017	0.0043	0.0187
Echinococcus multilocularis	peroxidasin	0.0048	0.0555	0.2411
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0153	0.2304	0.5539
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0427	0.0289
Onchocerca volvulus	Chorion peroxidase homolog	0.0048	0.0555	0.135
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.2304	0.3577
Loa Loa (eye worm)	blistered cuticle protein 3	0.0048	0.0555	0.1335
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0427	0.1854
Loa Loa (eye worm)	animal heme peroxidase	0.0048	0.0555	0.1335
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0034	0.0147
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0139	0.2061	0.3468
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0555	0.1335
Brugia malayi	Animal haem peroxidase family protein	0.0048	0.0555	0.1335
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Onchocerca volvulus		0.0048	0.0555	0.135
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Trypanosoma cruzi	casein kinase II, putative	0.0153	0.2304	1
Treponema pallidum	penicillin-binding protein (pbp-1)	0.0618	1	1
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0023	0.0143	0.0257
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.4463	0.7691
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0828	0.3594
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0427	0.1854
Brugia malayi	hypothetical protein	0.0017	0.0043	0.0104
Brugia malayi	polk-prov protein	0.003	0.0267	0.0642
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	0.0357	0.5674	0.5632
Toxoplasma gondii	CMGC kinase, CK2 family	0.0153	0.2304	1
Loa Loa (eye worm)	animal heme peroxidase	0.0048	0.0555	0.1335
Schistosoma mansoni	polycystin 1-related	0.0019	0.0084	0.0203
Treponema pallidum	penicillin-binding protein (pbp-3)	0.0616	0.9963	0.9962
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.0689	0.0556
Schistosoma mansoni	protein kinase	0.0153	0.2304	0.5539
Brugia malayi	Animal haem peroxidase family protein	0.0048	0.0555	0.1335
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.0828	0.3594
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0143	0.0442

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.2 uM	Inhibition of the ovine Prostaglandin G/H synthase 1 was determined by thin-layer chromatography assay	ChEMBL.	11844663
IC50 (binding)	= 0.2 uM	Inhibition of the ovine Prostaglandin G/H synthase 1 was determined by thin-layer chromatography assay	ChEMBL.	11844663
IC50 (binding)	= 66 uM	Inhibition of the human Prostaglandin G/H synthase 2 was determined by thin-layer chromatography assay	ChEMBL.	11844663
IC50 (binding)	= 66 uM	Inhibition of the human Prostaglandin G/H synthase 2 was determined by thin-layer chromatography assay	ChEMBL.	11844663
Ratio (binding)	= 300	Selectivity as ratio of IC50 against COX-1 to IC50 against COX-2	ChEMBL.	11844663

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

ChEMBL: CHEMBL147016
PubChem: 11744262

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 257289