TDR Targets

Basic information

Technical information

TDR Targets ID: 1427929
Name: 1-(2-methoxyphenyl)-4-[4-(2-methyl-1,3-oxazol -4-yl)phenyl]sulfonylpiperazine
MW: 413.49 | Formula: C21H23N3O4S
H donors: 0 H acceptors: 3 LogP: 3.11 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)c1coc(n1)C
InChi: 1S/C21H23N3O4S/c1-16-22-19(15-28-16)17-7-9-18(10-8-17)29(25,26)24-13-11-23(12-14-24)20-5-3-4-6-21(20)27-2/h3-10,15H,11-14H2,1-2H3
InChiKey: BUVLMPGGXKFWHD-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

1-(2-methoxyphenyl)-4-[4-(2-methyloxazol-4-yl)phenyl]sulfonyl-piperazine
1-(2-methoxyphenyl)-4-[4-(2-methyl-4-oxazolyl)phenyl]sulfonylpiperazine
1-(2-methoxyphenyl)-4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonyl-piperazine
G847-0066
NCGC00135164-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	polymerase (DNA directed), beta	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania braziliensis	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania donovani	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma congolense	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Mycobacterium tuberculosis	Conserved hypothetical protein	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania infantum	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma brucei	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania major	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	Get druggable targets OG5_130965	All targets in OG5_130965
Leishmania mexicana	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965
Trypanosoma brucei gambiense	mitochondrial DNA polymerase beta	Get druggable targets OG5_130965	All targets in OG5_130965

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	polymerase (DNA directed), beta	335 aa	303 aa	32.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	cathepsin L-like protease	0.0193	0.343	0.276
Onchocerca volvulus		0.0193	0.343	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0193	0.343	1
Onchocerca volvulus	Cathepsin F homolog	0.0193	0.343	1
Brugia malayi	Papain family cysteine protease containing protein	0.0193	0.343	0.4176
Onchocerca volvulus		0.0193	0.343	1
Leishmania major	cathepsin L-like protease	0.0193	0.343	0.276
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.2642	0.1892
Onchocerca volvulus		0.0193	0.343	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0193	0.343	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0193	0.343	0.343
Brugia malayi	Cathepsin L-like precursor	0.0193	0.343	0.4176
Echinococcus multilocularis	cathepsin b	0.0318	0.8213	1
Entamoeba histolytica	cysteine protease, putative	0.0193	0.343	1
Toxoplasma gondii	cathepsin CPL	0.0193	0.343	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0318	0.8213	0.8213
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0132	0.1091	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0193	0.343	1
Loa Loa (eye worm)	hypothetical protein	0.0193	0.343	0.3437
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Brugia malayi	Cathepsin L-like precursor	0.0193	0.343	0.4176
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0318	0.8213	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0193	0.343	0.4176
Echinococcus multilocularis	cathepsin b	0.0318	0.8213	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0318	0.8213	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0193	0.343	0.3437
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0128	0.0925	0.1126
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0193	0.343	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0128	0.0925	0.0925
Echinococcus multilocularis	cathepsin L cysteine protease	0.0193	0.343	0.4176
Echinococcus granulosus	cathepsin l1	0.0132	0.1091	0.1329
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0318	0.8213	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0193	0.343	0.4176
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0173	0.2642	0.2642
Echinococcus multilocularis	cathepsin L cysteine protease	0.0193	0.343	0.4176
Onchocerca volvulus	Cathepsin L homolog	0.0193	0.343	1
Plasmodium vivax	vivapain-2	0.0193	0.343	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0193	0.343	0.3437
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0193	0.343	1
Brugia malayi	Cathepsin L-like precursor	0.0193	0.343	0.4176
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0193	0.343	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0318	0.8213	1
Echinococcus granulosus	cathepsin b	0.0318	0.8213	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Onchocerca volvulus		0.0193	0.343	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0132	0.1091	0.3182
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0318	0.8213	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0192	0.3388	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0128	0.0925	0.2697
Trypanosoma cruzi	cysteine peptidase, putative	0.0193	0.343	0.343
Schistosoma mansoni	cathepsin F (C01 family)	0.0132	0.1091	0.1329
Leishmania major	cathepsin L-like protease	0.0193	0.343	0.276
Mycobacterium ulcerans	hypothetical protein	0.0192	0.3388	0.5
Leishmania major	cathepsin L-like protease	0.0193	0.343	0.276
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0193	0.343	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0132	0.1091	0.1091
Onchocerca volvulus	Cathepsin L homolog	0.0193	0.343	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0193	0.343	0.343
Giardia lamblia	Cathepsin B precursor	0.0128	0.0925	0.5
Loa Loa (eye worm)	cysteine protease	0.0193	0.343	0.3437
Onchocerca volvulus		0.0193	0.343	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0193	0.343	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0173	0.2642	0.2642
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Trypanosoma cruzi	cruzipain precursor, putative	0.0193	0.343	0.343
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0365	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0193	0.343	1
Brugia malayi	cathepsin L-like precursor	0.0132	0.1091	0.1329
Brugia malayi	Cathepsin L-like precursor	0.0132	0.1091	0.1329
Onchocerca volvulus		0.0193	0.343	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0193	0.343	0.4176
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0193	0.343	1
Giardia lamblia	Cathepsin B precursor	0.0128	0.0925	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Echinococcus granulosus	cathepsin l1	0.0193	0.343	0.4176
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0365	1	1
Loa Loa (eye worm)	hypothetical protein	0.0318	0.8213	1
Plasmodium vivax	vivapain-2	0.0193	0.343	1
Loa Loa (eye worm)	ctsf protein	0.0193	0.343	0.3437
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0193	0.343	1
Brugia malayi	Cathepsin L-like precursor	0.0132	0.1091	0.1329
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0193	0.343	0.4176
Entamoeba histolytica	cysteine proteinase, putative	0.0132	0.1091	0.3182
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0128	0.0925	0.0925
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0132	0.1091	0.1329
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0193	0.343	0.343
Echinococcus granulosus	cathepsin b	0.0318	0.8213	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0193	0.343	1
Leishmania major	cathepsin L-like protease	0.0193	0.343	0.276
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Leishmania major	cathepsin L-like protease	0.0193	0.343	0.276
Brugia malayi	Cathepsin L-like precursor	0.0193	0.343	0.4176
Leishmania major	cathepsin L-like protease	0.0193	0.343	0.276
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0193	0.343	1
Brugia malayi	Cathepsin L-like precursor	0.0193	0.343	0.4176
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1091	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1091	0.0228
Entamoeba histolytica	cysteine proteinase, putative	0.0193	0.343	1
Leishmania major	cysteine peptidase A (CPA)	0.0193	0.343	0.276
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1091	0.0228
Entamoeba histolytica	cysteine proteinase, putative	0.0193	0.343	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0193	0.343	1
Echinococcus multilocularis	cysteine protease	0.0193	0.343	0.4176
Echinococcus multilocularis	cysteine protease	0.0193	0.343	0.4176
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0193	0.343	1
Giardia lamblia	Cathepsin B precursor	0.0128	0.0925	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0193	0.343	0.4176
Trypanosoma cruzi	cysteine peptidase, putative	0.0193	0.343	0.343
Loa Loa (eye worm)	fibroinase	0.0193	0.343	0.3437
Onchocerca volvulus		0.0193	0.343	1
Leishmania major	cathepsin L-like protease	0.0193	0.343	0.276
Brugia malayi	Cathepsin L-like precursor	0.0193	0.343	0.4176
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0193	0.343	0.4176

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 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)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference

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: CHEMBL1554651

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 1427929