TDR Targets

Basic information

Technical information

TDR Targets ID: 1169682
Name: 3-[(1R)-2-[2-[4-(dimethylsulfamoylamino)pheno xy]ethylamino]-1-hydroxyethyl]pyridine
MW: 380.462 | Formula: C17H24N4O4S
H donors: 3 H acceptors: 4 LogP: 0.11 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O[C@H](c1cccnc1)CNCCOc1ccc(cc1)NS(=O)(=O)N(C)C
InChi: 1S/C17H24N4O4S/c1-21(2)26(23,24)20-15-5-7-16(8-6-15)25-11-10-19-13-17(22)14-4-3-9-18-12-14/h3-9,12,17,19-20,22H,10-11,13H2,1-2H3/t17-/m0/s1
InChiKey: JOTDAQBPVPHNQU-KRWDZBQOSA-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

3-[(1R)-2-[2-[4-(dimethylsulfamoylamino)phenoxy]ethylamino]-1-hydroxy-ethyl]pyridine

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	hypothetical protein	0.0078	0.2864	0.2864
Trichomonas vaginalis	ap endonuclease, putative	0.0042	0.1338	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1588	0.2029
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0042	0.1338	0.5
Brugia malayi	exodeoxyribonuclease III family protein	0.0042	0.1338	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0134	0.526	0.526
Toxoplasma gondii	exonuclease III APE	0.0042	0.1338	0.5
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0042	0.1338	0.5
Schistosoma mansoni	hypothetical protein	0.0078	0.2864	0.3659
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0042	0.1338	0.1709
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0042	0.1338	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.526	0.526
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0078	0.2864	0.3659
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0042	0.1338	0.5
Echinococcus granulosus	geminin	0.0194	0.7826	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.1588	0.1588
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0042	0.1338	0.5
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0042	0.1338	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0245	1	1
Onchocerca volvulus	Huntingtin homolog	0.0134	0.526	1
Onchocerca volvulus	Huntingtin homolog	0.0134	0.526	1
Echinococcus multilocularis	geminin	0.0194	0.7826	1
Entamoeba histolytica	hypothetical protein	0.0078	0.2864	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1588	0.2029
Entamoeba histolytica	hypothetical protein	0.0078	0.2864	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1588	0.2029
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0042	0.1338	0.5
Schistosoma mansoni	ap endonuclease	0.0042	0.1338	0.1709
Brugia malayi	hypothetical protein	0.0134	0.526	0.526
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0042	0.1338	0.1709
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1588	0.2029
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1588	0.2029
Schistosoma mansoni	hypothetical protein	0.0194	0.7826	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0042	0.1338	0.5
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0042	0.1338	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.1588	0.1588
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0042	0.1338	0.5
Entamoeba histolytica	hypothetical protein	0.0078	0.2864	1
Trichomonas vaginalis	ap endonuclease, putative	0.0042	0.1338	0.5
Schistosoma mansoni	ap endonuclease	0.0042	0.1338	0.1709
Entamoeba histolytica	hypothetical protein	0.0078	0.2864	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1588	0.2029
Schistosoma mansoni	transcription factor LCR-F1	0.0078	0.2864	0.3659
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1588	0.2029
Schistosoma mansoni	hypothetical protein	0.0194	0.7826	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0042	0.1338	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0078	0.2864	0.3659
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0042	0.1338	0.1338

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

ChEMBL: CHEMBL1198530

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 1169682