TDR Targets

Basic information

Technical information

TDR Targets ID: 912072
Name: N-(3,5-ditert-butyl-4-hydroxyphenyl)-4-nitrob enzenesulfonamide
MW: 406.496 | Formula: C20H26N2O5S
H donors: 2 H acceptors: 5 LogP: 5.26 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
InChi: 1S/C20H26N2O5S/c1-19(2,3)16-11-13(12-17(18(16)23)20(4,5)6)21-28(26,27)15-9-7-14(8-10-15)22(24)25/h7-12,21,23H,1-6H3
InChiKey: PZORQKXJGYXRAT-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

N-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-nitro-benzenesulfonamide
ZINC01508402
UNM000000500001

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
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.0847	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.0847	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0048	0.0111	0.0106
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0038	0.0038
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.126	0.3833	0.3833
Giardia lamblia	Fructose-bisphosphate aldolase	0.0288	0.0847	0.5
Brugia malayi	protein C17H12.11	0.1255	0.3817	0.3817
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0037	0.0077	0.0072
Echinococcus multilocularis	activin receptor type	0.1481	0.4511	0.4509
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0048	0.0111	0.0106
Plasmodium falciparum	tyrosine kinase-like protein, putative	0.0052	0.0124	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0096	0.0258	0.0253
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0038	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0038	0.0038
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0038	0.0084
Loa Loa (eye worm)	TK/ABL protein kinase	0.0215	0.0622	0.0622
Brugia malayi	Protein kinase domain containing protein	0.126	0.3833	0.3833
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0129	0.0359	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0019	0.0019
Schistosoma mansoni	tyrosine kinase	0.0208	0.0601	0.0597
Echinococcus multilocularis	TGF beta receptor type 1	0.3269	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.0847	0.5
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.0395	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0038	0.0143
Brugia malayi	protein-tyrosine kinase	0.0041	0.0091	0.009
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0019	0.0019
Schistosoma mansoni	tyrosine kinase	0.0048	0.0111	0.0106
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.0091	0.0086
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0048	0.0111	0.0106
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.0091	0.0086
Treponema pallidum	fructose-bisphosphate aldolase	0.0288	0.0847	0.5
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0018	0.0019	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0019	0.0019
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0019	0.0012
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0129	0.0359	1
Mycobacterium ulcerans	haloalkane dehalogenase	0.087	0.2635	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0052	0.0124	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0038	0.0038
Onchocerca volvulus		0.0024	0.0038	1
Brugia malayi	SRC-1	0.0048	0.0111	0.0111
Echinococcus granulosus	TGF-beta receptor type-1	0.3269	1	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0013	0.0005	0.0004
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0048	0.0111	0.0106
Entamoeba histolytica	protein kinase, putative	0.0035	0.007	0.0821
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0048	0.0111	0.0106
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0038	0.0143
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.0847	1
Schistosoma mansoni	tyrosine kinase	0.0018	0.0019	0.0014
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0141	0.0395	0.1446
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0038	0.1052
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0018	0.0019	0.0014
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0013	0.0005	0.0004
Brugia malayi	Sex muscle abnormal protein 5	0.0013	0.0005	0.0004
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0048	0.0111	0.0106
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0048	0.0111	0.0106
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0048	0.0111	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0038	0.0038
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0018	0.0019	0.0014
Echinococcus granulosus	mitogen activated protein kinase 11	0.0129	0.0359	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0005	0.0004
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0215	0.0622	0.0618
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.0847	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0038	0.0038
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0129	0.0359	0.0354
Brugia malayi	Variant SH3 domain containing protein	0.0013	0.0005	0.0004
Schistosoma mansoni	tyrosine kinase	0.0018	0.0019	0.0014
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0038	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0019	0.0019
Echinococcus multilocularis	c src tyrosine kinase	0.0018	0.0019	0.0014
Schistosoma mansoni	protein kinase	0.3269	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.0847	0.5
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0129	0.0359	1
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0052	0.0124	0.5
Echinococcus granulosus	activin receptor type	0.1481	0.4511	0.4509
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.0847	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0048	0.0111	0.0106
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.3269	0.9998	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0125	0.0349	0.0348
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0035	0.007	0.0065
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0048	0.0111	0.0106
Echinococcus granulosus	mitogen activated protein kinase 14	0.0129	0.0359	0.0354
Brugia malayi	hypothetical protein	0.1255	0.3817	0.3817
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0038	0.0143
Mycobacterium tuberculosis	Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase)	0.087	0.2635	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0038	0.0143
Loa Loa (eye worm)	TK protein kinase	0.0041	0.0091	0.009
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.0847	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.0847	0.5
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0216	0.0216
Brugia malayi	P38 map kinase family protein 2	0.0129	0.0359	0.0358
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0019	0.0974
Echinococcus granulosus	tyrosine kinase	0.0041	0.0091	0.0086
Echinococcus granulosus	c src tyrosine kinase	0.0018	0.0019	0.0014
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.0847	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0038	0.0038
Brugia malayi	Variant SH3 domain containing protein	0.0013	0.0005	0.0004
Loa Loa (eye worm)	hypothetical protein	0.1255	0.3817	0.3817
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0048	0.0111	0.0106
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0129	0.0359	0.0354
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0048	0.0111	0.0106
Schistosoma mansoni	protein kinase	0.1476	0.4495	0.4493
Loa Loa (eye worm)	SRC-1	0.0048	0.0111	0.0111
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0048	0.0111	0.0106
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.0091	0.0086
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0038	0.0143
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0048	0.0111	0.0106
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0129	0.0359	0.0358
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0038	0.0143
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0048	0.0111	0.0106
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0129	0.0359	1
Brugia malayi	bone morphogenetic protein type 1 receptor	0.3269	0.9998	1
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0129	0.0359	0.0354
Loa Loa (eye worm)	TKL/STKR/TYPE2 protein kinase	0.126	0.3833	0.3833
Echinococcus granulosus	tyrosine protein kinase HCK	0.0035	0.007	0.0065
Echinococcus multilocularis	serine:threonine protein kinase receptor R3	0.1477	0.4497	0.4494
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0038	0.1052
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0215	0.0622	0.0618
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0019	0.0019
Brugia malayi	Tyrosine-protein kinase abl-1	0.0096	0.0258	0.0257
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0019	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0038	0.0447
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0038	0.0143
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0091	0.0086
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0038	0.0447
Schistosoma mansoni	tyrosine kinase	0.0048	0.0111	0.0106
Loa Loa (eye worm)	TK protein kinase	0.0035	0.007	0.0069
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0129	0.0359	0.0354
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0019	0.0071
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.0091	0.0086
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0038	0.0084
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0141	0.0395	0.1497
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0038	0.0447
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0037	0.0077	0.0072
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0053	0.0127	0.0122
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0048	0.0111	0.0106

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 912072