TDR Targets

Basic information

Technical information

TDR Targets ID: 1878437
Name: N-[2-[2-[(2-ethoxyphenyl)methylidene]hydrazin yl]-2-oxoethyl]-4-morpholin-4-ylsulfonylbenza mide
MW: 474.53 | Formula: C22H26N4O6S
H donors: 2 H acceptors: 4 LogP: 1.29 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
InChi: 1S/C22H26N4O6S/c1-2-32-20-6-4-3-5-18(20)15-24-25-21(27)16-23-22(28)17-7-9-19(10-8-17)33(29,30)26-11-13-31-14-12-26/h3-10,15H,2,11-14,16H2,1H3,(H,23,28)(H,25,27)/b24-15+
InChiKey: PHPORVCFUJGLBK-BUVRLJJBSA-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-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
N-[2-[N'-[(2-ethoxyphenyl)methylene]hydrazino]-2-oxo-ethyl]-4-morpholinosulfonyl-benzamide
N-[2-[(N'E)-N'-[(2-ethoxyphenyl)methylene]hydrazino]-2-oxo-ethyl]-4-morpholinosulfonyl-benzamide
N-[2-[N'-[(2-ethoxyphenyl)methylene]hydrazino]-2-oxoethyl]-4-morpholinosulfonylbenzamide
N-[2-[(N'E)-N'-[(2-ethoxyphenyl)methylene]hydrazino]-2-oxoethyl]-4-morpholinosulfonylbenzamide
N-[2-[N'-(2-ethoxybenzylidene)hydrazino]-2-keto-ethyl]-4-morpholinosulfonyl-benzamide
N-[2-[(N'E)-N'-(2-ethoxybenzylidene)hydrazino]-2-keto-ethyl]-4-morpholinosulfonyl-benzamide
N-[2-[2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxo-ethyl]-4-morpholin-4-ylsulfonyl-benzamide
N-[2-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-2-oxo-ethyl]-4-morpholin-4-ylsulfonyl-benzamide
MLS000697248
SMR000237662

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470

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
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0126	0.3491	1
Schistosoma mansoni	tubulin subunit beta	0.0126	0.3491	1
Giardia lamblia	Beta tubulin	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Echinococcus granulosus	beta tubulin	0.0126	0.3491	1
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Loa Loa (eye worm)	tubulin beta chain	0.0126	0.3491	0.4063
Echinococcus multilocularis	beta tubulin	0.0126	0.3491	1
Brugia malayi	Pre-SET motif family protein	0.0251	0.8591	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0126	0.3491	1
Giardia lamblia	Beta tubulin	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Plasmodium vivax	tubulin beta chain, putative	0.0126	0.3491	0.5
Loa Loa (eye worm)	tubulin beta-1 chain	0.0126	0.3491	0.4063
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Brugia malayi	Tubulin beta-1 chain	0.0126	0.3491	0.4063
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Toxoplasma gondii	beta-tubulin, putative	0.0126	0.3491	0.5
Entamoeba histolytica	tubulin family protein	0.0126	0.3491	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0126	0.3491	1
Giardia lamblia	Beta tubulin	0.0126	0.3491	0.5
Loa Loa (eye worm)	beta-tubulin	0.0126	0.3491	0.4063
Schistosoma mansoni	tubulin subunit beta	0.0126	0.3491	1
Echinococcus granulosus	beta tubulin	0.0126	0.3491	1
Loa Loa (eye worm)	BEN-1 protein	0.0126	0.3491	0.4063
Echinococcus granulosus	Tubulin beta 2C chain	0.0126	0.3491	1
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Echinococcus granulosus	tubulin subunit beta	0.0126	0.3491	1
Schistosoma mansoni	tubulin subunit beta	0.0126	0.3491	1
Echinococcus multilocularis	beta tubulin	0.0126	0.3491	1
Schistosoma mansoni	tubulin subunit beta	0.0126	0.3491	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.0126	0.3491	0.4063
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0126	0.3491	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0126	0.3491	0.4063
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Echinococcus granulosus	tubulin beta 4A class IVa	0.0126	0.3491	1
Trypanosoma brucei	beta tubulin	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0126	0.3491	1
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.8591	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0126	0.3491	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0126	0.3491	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0126	0.3491	1
Echinococcus granulosus	tubulin beta 1 chain	0.0126	0.3491	1
Trypanosoma brucei	beta tubulin	0.0126	0.3491	0.5
Toxoplasma gondii	beta-1 tubulin, putative	0.0126	0.3491	0.5
Brugia malayi	beta-tubulin, identical	0.0126	0.3491	0.4063
Trypanosoma brucei	beta tubulin	0.0126	0.3491	0.5
Loa Loa (eye worm)	BEN-1 protein	0.0126	0.3491	0.4063
Schistosoma mansoni	tubulin subunit beta	0.0126	0.3491	1
Echinococcus multilocularis	tubulin subunit beta	0.0126	0.3491	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0126	0.3491	1
Plasmodium falciparum	tubulin beta chain	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Trypanosoma brucei	beta tubulin	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0126	0.3491	1
Trypanosoma cruzi	beta tubulin, putative	0.0126	0.3491	0.5
Schistosoma mansoni	tubulin subunit beta	0.0126	0.3491	1
Trichomonas vaginalis	set domain proteins, putative	0.0286	1	1
Toxoplasma gondii	beta tubulin	0.0126	0.3491	0.5
Entamoeba histolytica	tubulin family protein	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Leishmania major	beta tubulin	0.0126	0.3491	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0126	0.3491	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7943 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL3207679

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 1878437