TDR Targets

Basic information

Technical information

TDR Targets ID: 1238375
Name: 1-benzofuran-2-yl-[4-(2,6-difluorophenyl)sulf onylpiperazin-1-yl]methanone
MW: 406.403 | Formula: C19H16F2N2O4S
H donors: 0 H acceptors: 3 LogP: 2.94 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc2c(o1)cccc2)N1CCN(CC1)S(=O)(=O)c1c(F)cccc1F
InChi: 1S/C19H16F2N2O4S/c20-14-5-3-6-15(21)18(14)28(25,26)23-10-8-22(9-11-23)19(24)17-12-13-4-1-2-7-16(13)27-17/h1-7,12H,8-11H2
InChiKey: GBUHFSJRYTWFNW-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

benzofuran-2-yl-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methanone
2-benzofuranyl-[4-(2,6-difluorophenyl)sulfonyl-1-piperazinyl]methanone
ZINC03426019

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	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)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1367	0.3794
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.3501	0.346
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.004	0.1294	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0328	0.1156
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.1529	0.1477
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0328	0.1156
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0328	0.0268
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0328	0.0268
Schistosoma mansoni	inositol monophosphatase	0.0044	0.157	0.1518
Schistosoma mansoni	hypothetical protein	0.0185	1	1
Echinococcus granulosus	inositol monophosphatase 1	0.0044	0.157	0.1518
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.2491	0.7063
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3501	0.346
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0328	0.0268
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1367	0.3904
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0165	0.0473
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0039	0.1288	0.368
Schistosoma mansoni	ap endonuclease	0.0021	0.0165	0.0104
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.3501	1
Brugia malayi	hypothetical protein	0.0028	0.0583	0.1666
Echinococcus granulosus	ubiquitin specific protease 41	0.0039	0.1288	0.1234
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3501	0.346
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0044	0.157	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0328	0.1156
Loa Loa (eye worm)	hypothetical protein	0.006	0.2491	0.7063
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0328	0.1156
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0583	0.1516
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0328	0.1439
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.004	0.1294	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0062	0.0177
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0039	0.1288	0.1234
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Echinococcus multilocularis	geminin	0.0185	1	1
Leishmania major	DNA polymerase eta, putative	0.0023	0.0328	0.1156
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.1288	0.7991
Echinococcus granulosus	tar DNA binding protein	0.0076	0.3501	0.346
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.1529	0.1477
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.157	1
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.1288	0.7991
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0039	0.1288	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.157	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3501	0.346
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0328	0.0773
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0328	0.1156
Schistosoma mansoni	ap endonuclease	0.0021	0.0165	0.0104
Entamoeba histolytica	hypothetical protein	0.0043	0.1529	0.9708
Brugia malayi	RNA binding protein	0.0076	0.3501	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.1288	0.7991
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.157	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.0039	0.1288	0.1234
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.157	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.3501	1
Loa Loa (eye worm)	inositol-1	0.0044	0.157	0.4386
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.2491	0.7115
Entamoeba histolytica	hypothetical protein	0.0043	0.1529	0.9708
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.1288	0.7991
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.2491	0.7115
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.1288	0.7991
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.3501	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0328	0.0268
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0044	0.157	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0328	0.0937
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0039	0.1288	0.1234
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1288	0.3566
Brugia malayi	hypothetical protein	0.0043	0.1529	0.4368
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.1288	0.1234
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.3501	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0583	0.2974
Entamoeba histolytica	hypothetical protein	0.0043	0.1529	0.9708
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0165	0.0301
Entamoeba histolytica	hypothetical protein	0.0043	0.1529	0.9708
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0328	0.1156
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0328	0.1447
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0328	0.0268
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0039	0.1288	0.1234
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.1288	0.1234
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.157	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0328	0.1156
Trichomonas vaginalis	inositol monophosphatase, putative	0.0044	0.157	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0583	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0039	0.1288	0.7991
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3501	0.346
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0583	0.2974
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0039	0.1288	0.1234
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0165	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0328	0.0268
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0039	0.1288	0.7991
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0039	0.1288	0.7991
Leishmania major	hypothetical protein, conserved	0.0028	0.0583	0.2974
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0328	0.1156
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0328	0.0268
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0165	0.0104
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0044	0.157	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0044	0.157	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0583	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.1529	0.1477
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0062	0.0177
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0328	0.1156
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0328	0.1156
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0328	0.1156
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0328	0.0773
Echinococcus granulosus	dna polymerase eta	0.0023	0.0328	0.0268
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.157	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0583	0.2974
Echinococcus multilocularis	inositol monophosphatase 1	0.0044	0.157	0.1518
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3501	0.346
Schistosoma mansoni	hypothetical protein	0.0185	1	1
Schistosoma mansoni	hypothetical protein	0.0043	0.1529	0.1477
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0328	0.1156
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0328	0.1439
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0165	0.0104
Schistosoma mansoni	hypothetical protein	0.0041	0.1367	0.1313
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0583	0.2974
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0328	0.0268
Schistosoma mansoni	inositol monophosphatase	0.0044	0.157	0.1518
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0328	0.0937
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0583	1
Trypanosoma brucei	unspecified product	0.0023	0.0328	0.1156
Brugia malayi	TAR-binding protein	0.0076	0.3501	1
Brugia malayi	Inositol-1	0.0044	0.157	0.4486

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.8184 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	6.5131 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1316743

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 1238375