TDR Targets

Basic information

Technical information

TDR Targets ID: 1420605
Name: [4-(2-fluorophenyl)piperazin-1-yl]-[5-[(4-met hoxyphenyl)sulfonylmethyl]furan-2-yl]methanon e
MW: 458.503 | Formula: C23H23FN2O5S
H donors: 0 H acceptors: 3 LogP: 3.21 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCN(CC1)c1ccccc1F
InChi: 1S/C23H23FN2O5S/c1-30-17-6-9-19(10-7-17)32(28,29)16-18-8-11-22(31-18)23(27)26-14-12-25(13-15-26)21-5-3-2-4-20(21)24/h2-11H,12-16H2,1H3
InChiKey: FKDABWXJQMGYQE-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

[4-(2-fluorophenyl)piperazin-1-yl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furyl]methanone
[4-(2-fluorophenyl)-1-piperazinyl]-[5-[(4-methoxyphenyl)sulfonylmethyl]-2-furyl]methanone
MLS000878420
SMR000094501
MLS000117553

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0248	0.0248
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0434	0.0297
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0054	0.0967	0.0967
Trypanosoma brucei	proteasome alpha 7 subunit, putative	0.0029	0.0244	0.0367
Plasmodium vivax	proteasome subunit beta type-6, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	hypothetical protein	0.0034	0.0378	0.0378
Leishmania major	proteasome alpha 7 subunit, putative	0.0029	0.0244	0.0367
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0434	0.0297
Plasmodium falciparum	ATP-dependent protease subunit ClpQ	0.0029	0.0244	0.0367
Brugia malayi	Proteasome A-type and B-type family protein	0.0029	0.0244	0.0367
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0161	0.4083	0.4083
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1196	0.1196
Schistosoma mansoni	proteasome subunit alpha 4 (T01 family)	0.0029	0.0244	0.0244
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0029	0.0244	0.0367
Echinococcus granulosus	proteasome prosome macropain subunit beta type	0.0029	0.0244	0.0244
Entamoeba histolytica	proteasome subunit alpha type 4, putative	0.0029	0.0244	0.0367
Plasmodium vivax	proteasome subunit alpha type-5, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0249	0.6645	0.6645
Toxoplasma gondii	proteasome subunit beta type 2, putative	0.0054	0.0967	0.1455
Trypanosoma cruzi	proteasome alpha 1 subunit, putative	0.0029	0.0244	0.0367
Trypanosoma cruzi	ATP-dependent protease subunit HslV, putative	0.0029	0.0244	0.0367
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0434	0.0653
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0029	0.0244	0.0296
Trichomonas vaginalis	set domain proteins, putative	0.0234	0.6201	0.9332
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0871	0.0871
Giardia lamblia	Proteasome subunit beta type 4 precursor	0.0029	0.0244	0.0367
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.0519	0.0781
Entamoeba histolytica	proteasome subunit beta type 3, putative	0.0029	0.0244	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0434	0.0527
Plasmodium vivax	proteasome subunit alpha type-3, putative	0.0029	0.0244	0.0367
Brugia malayi	Proteasome subunit alpha type 7-1	0.0029	0.0244	0.0367
Echinococcus multilocularis	snurportin 1	0.0304	0.8241	0.8241
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.0054	0.0967	0.1455
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0062	0.0093
Schistosoma mansoni	proteasome catalytic subunit 2 (T01 family)	0.0029	0.0244	0.0244
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0434	0.0297
Brugia malayi	proteasome subunit alpha type 3	0.0029	0.0244	0.0367
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0871	0.0871
Leishmania major	proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative	0.008	0.1716	0.2583
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0029	0.0244	0.0244
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0062	0.0093
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0047	0.077	0.1158
Echinococcus multilocularis	proteasome subunit alpha type 6	0.0029	0.0244	0.0244
Entamoeba histolytica	proteasome subunit alpha type 3, putative	0.0029	0.0244	0.0367
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0871	0.0871
Toxoplasma gondii	heat shock protein hslv, putative	0.0029	0.0244	0.0367
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0029	0.0244	0.0367
Trypanosoma cruzi	proteasome beta 2 subunit, putative	0.0029	0.0244	0.0367
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0219	0.0219
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0054	0.0967	0.0967
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0248	0.0248
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0029	0.0244	0.0367
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0029	0.0244	0.0244
Toxoplasma gondii	20S proteasome subunit beta 7, putative	0.0029	0.0244	0.0367
Plasmodium falciparum	importin beta, putative	0.0028	0.0219	0.0329
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0029	0.0244	0.0244
Brugia malayi	proteasome subunit beta type 2	0.0054	0.0967	0.1455
Entamoeba histolytica	hypothetical protein	0.0023	0.0062	0.0093
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0219	0.0329
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0249	0.6645	1
Plasmodium falciparum	proteasome subunit beta type-3, putative	0.0029	0.0244	0.0367
Toxoplasma gondii	proteasome beta subunit	0.0029	0.0244	0.0367
Giardia lamblia	Proteasome subunit beta type 2	0.0054	0.0967	0.1455
Schistosoma mansoni	proteasome subunit alpha 7 (T01 family)	0.0029	0.0244	0.0244
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0029	0.0244	0.0244
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1196	0.1196
Echinococcus granulosus	Proteasome subunit alpha beta	0.0029	0.0244	0.0244
Plasmodium vivax	proteasome subunit alpha type-1, putative	0.0029	0.0244	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0434	0.0527
Trypanosoma cruzi	proteasome alpha 2 subunit, putative	0.0029	0.0244	0.0367
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0249	0.6645	1
Leishmania major	proteasome alpha 1 subunit, putative	0.0029	0.0244	0.0367
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0047	0.077	0.1158
Plasmodium falciparum	proteasome subunit alpha type-5, putative	0.0029	0.0244	0.0367
Leishmania major	proteasome beta 2 subunit, putative	0.0054	0.0967	0.1455
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0871	0.131
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0519	0.0781
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.1196	0.1451
Leishmania major	hs1vu complex proteolytic subunit-like,hs1vu complex proteolytic subunit-like, threonine peptidase, Clan T(1), family T1B	0.0029	0.0244	0.0367
Trypanosoma brucei	proteasome alpha 7 subunit	0.0029	0.0244	0.0367
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0039	0.0519	0.5
Entamoeba histolytica	acetyltransferase, GNAT family	0.0043	0.0655	0.0985
Giardia lamblia	20S proteasome alpha subunit 1	0.0029	0.0244	0.0367
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0029	0.0244	0.0367
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0029	0.0244	0.0367
Plasmodium falciparum	proteasome subunit beta type-1, putative	0.008	0.1716	0.2583
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0249	0.6645	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0871	0.0871
Trypanosoma brucei	proteasome beta 2 subunit, putative	0.0029	0.0244	0.0367
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.008	0.1716	0.2583
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0047	0.077	0.1158
Onchocerca volvulus		0.0036	0.0434	0.0319
Schistosoma mansoni	hypothetical protein	0.0304	0.8241	0.8241
Plasmodium vivax	proteasome subunit beta type-3, putative	0.0029	0.0244	0.0367
Plasmodium vivax	proteasome subunit alpha type-6, putative	0.0029	0.0244	0.0367
Entamoeba histolytica	proteasome subunit alpha type 7, putative	0.0029	0.0244	0.0367
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0248	0.0248
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0434	0.0434
Brugia malayi	Proteasome subunit alpha type 1	0.0029	0.0244	0.0367
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0519	0.0781
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0519	0.0781
Loa Loa (eye worm)	PAS-3 protein	0.0029	0.0244	0.0296
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0836	0.1014
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0029	0.0244	0.0244
Trypanosoma cruzi	proteasome beta 3 subunit, putative	0.0029	0.0244	0.0367
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0029	0.0244	0.0367
Echinococcus granulosus	tar DNA binding protein	0.0062	0.1196	0.1196
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0304	0.8241	1
Leishmania major	proteasome beta 2 subunit, putative	0.0029	0.0244	0.0367
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0249	0.6645	1
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0029	0.0244	0.0296
Echinococcus multilocularis	proteasome subunit alpha type 2	0.0029	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0434	0.0527
Trypanosoma brucei	proteasome alpha 1 subunit, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0434	0.0434
Brugia malayi	acetyltransferase, GNAT family protein	0.0161	0.4083	0.6144
Loa Loa (eye worm)	proteasome subunit alpha type 6	0.0029	0.0244	0.0296
Brugia malayi	beta-lactamase family protein	0.0036	0.0434	0.0653
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0047	0.077	0.077
Trypanosoma cruzi	proteasome subunit alpha type-1, putative	0.0029	0.0244	0.0367
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.008	0.1716	0.1716
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0871	0.0871
Trypanosoma cruzi	proteasome alpha 3 subunit, putative	0.0029	0.0244	0.0367
Plasmodium falciparum	proteasome subunit beta type-7, putative	0.0029	0.0244	0.0367
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0054	0.0967	0.1455
Trypanosoma cruzi	proteasome beta 3 subunit, putative	0.0029	0.0244	0.0367
Onchocerca volvulus		0.0234	0.6201	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0434	0.0297
Giardia lamblia	20S proteasome alpha subunit 4	0.0029	0.0244	0.0367
Loa Loa (eye worm)	proteasome subunit alpha type 3	0.0029	0.0244	0.0296
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0519	0.0781
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0029	0.0244	0.0367
Entamoeba histolytica	proteasome subunit alpha type 4, putative	0.0029	0.0244	0.0367
Onchocerca volvulus		0.0036	0.0434	0.0319
Echinococcus granulosus	proteasome subunit beta t family	0.0029	0.0244	0.0244
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0029	0.0244	0.0244
Trypanosoma brucei	proteasome alpha 2 subunit, putative	0.0029	0.0244	0.0367
Leishmania major	proteasome alpha 3 subunit, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1196	0.1196
Giardia lamblia	20S proteasome alpha subunit 5	0.0029	0.0244	0.0367
Plasmodium falciparum	proteasome subunit alpha type-6, putative	0.0029	0.0244	0.0367
Brugia malayi	20S proteasome alpha5 subunit	0.0029	0.0244	0.0367
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0434	0.0653
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0029	0.0244	0.0367
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0871	0.1057
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0434	0.0653
Loa Loa (eye worm)	proteasome subunit alpha type 2	0.0029	0.0244	0.0296
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1196	0.1196
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0202	0.5284	0.7952
Echinococcus granulosus	proteasome subunit beta type 6	0.0029	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0434	0.0527
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0168	0.4296	0.4296
Leishmania major	proteasome beta-1 subunit, putative	0.0029	0.0244	0.0367
Leishmania major	proteasome beta 3 subunit, putative	0.0029	0.0244	0.0367
Trypanosoma cruzi	proteasome beta-1 subunit, putative	0.0029	0.0244	0.0367
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0434	0.0653
Entamoeba histolytica	proteasome subunit beta type 6 precursor, putative	0.0029	0.0244	0.0367
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0249	0.6645	1
Loa Loa (eye worm)	hypothetical protein	0.0202	0.5284	0.6412
Echinococcus multilocularis	Proteasome, subunit alpha beta	0.0029	0.0244	0.0244
Leishmania major	proteasome alpha 7 subunit, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	hypothetical protein	0.0364	1	1
Plasmodium falciparum	proteasome subunit beta type-2, putative	0.0054	0.0967	0.1455
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.0054	0.0967	0.1455
Toxoplasma gondii	exonuclease III APE	0.0039	0.0519	0.0781
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0029	0.0244	0.0367
Giardia lamblia	20S proteasome alpha subunit 7	0.0029	0.0244	0.0367
Echinococcus multilocularis	proteasome (prosome macropain) subunit beta type	0.0029	0.0244	0.0244
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0219	0.0329
Toxoplasma gondii	proteasome subunit alpha type, putative	0.0029	0.0244	0.0367
Loa Loa (eye worm)	proteasome subunit alpha type 1	0.0029	0.0244	0.0296
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0249	0.6645	0.6645
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0434	0.0297
Brugia malayi	Proteasome A-type and B-type family protein	0.0029	0.0244	0.0367
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0029	0.0244	0.0244
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0219	0.0329
Echinococcus granulosus	proteasome prosome macropain subunit alpha	0.0029	0.0244	0.0244
Entamoeba histolytica	proteasome subunit beta type 1, putative	0.008	0.1716	0.2583
Echinococcus granulosus	proteasome subunit alpha type 2	0.0029	0.0244	0.0244
Schistosoma mansoni	proteasome subunit beta 4 (T01 family)	0.0029	0.0244	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0248	0.0301
Brugia malayi	Proteasome A-type and B-type family protein	0.0249	0.6645	1
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0029	0.0244	0.0367
Plasmodium falciparum	proteasome subunit beta type-6, putative	0.0029	0.0244	0.0367
Brugia malayi	proteasome subunit alpha type 2	0.0029	0.0244	0.0367
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0434	0.0653
Brugia malayi	proteasome subunit beta type 3	0.0029	0.0244	0.0367
Entamoeba histolytica	proteasome subunit alpha type 5, putative	0.0029	0.0244	0.0367
Entamoeba histolytica	probable proteasome subunit beta type 2, putative	0.0054	0.0967	0.1455
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0519	0.0781
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.1196	0.1799
Loa Loa (eye worm)	proteasome subunit beta type 3	0.0029	0.0244	0.0296
Toxoplasma gondii	proteasome subunit beta type 1, putative	0.008	0.1716	0.2583
Trypanosoma cruzi	proteasome beta 7 subunit, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	proteasome catalytic subunit 1 (T01 family)	0.0029	0.0244	0.0244
Giardia lamblia	Proteasome subunit beta type 9 precursor	0.0029	0.0244	0.0367
Schistosoma mansoni	importin beta-1	0.0028	0.0219	0.0219
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.008	0.1716	0.2583
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0434	0.0527
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0062	0.0093
Trypanosoma brucei	proteasome beta-1 subunit, putative	0.0029	0.0244	0.0367
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0062	0.0093
Brugia malayi	beta-lactamase family protein	0.0036	0.0434	0.0653
Plasmodium falciparum	proteasome subunit beta type-4	0.0029	0.0244	0.0367
Brugia malayi	Pre-SET motif family protein	0.0029	0.0248	0.0373
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0168	0.4296	0.4296
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0029	0.0244	0.0367
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0434	0.0527
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0434	0.0297
Plasmodium falciparum	proteasome subunit alpha type-1, putative	0.0029	0.0244	0.0367
Echinococcus granulosus	proteasome prosome macropain	0.0249	0.6645	0.6645
Leishmania major	proteasome alpha 5 subunit, putative,20S proteasome subunit alpha 5, (putative)	0.0029	0.0244	0.0367
Plasmodium vivax	SET domain protein, putative	0.0029	0.0248	0.0373
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0248	0.0248
Echinococcus granulosus	Proteasome subunit alpha type 7	0.0029	0.0244	0.0244
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0434	0.0653
Plasmodium falciparum	proteasome subunit alpha type-4, putative	0.0029	0.0244	0.0367
Giardia lamblia	20S proteasome alpha subunit 3	0.0029	0.0244	0.0367
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0039	0.0519	0.0429
Plasmodium falciparum	proteasome subunit alpha type-3, putative	0.0029	0.0244	0.0367
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0434	0.0297
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0248	0.0373
Echinococcus multilocularis	proteasome subunit beta type 6	0.0029	0.0244	0.0244
Leishmania major	proteasome alpha 1 subunit, putative	0.0029	0.0244	0.0367
Loa Loa (eye worm)	acetyltransferase	0.0161	0.4083	0.4954
Leishmania major	hypothetical protein, conserved	0.0036	0.0434	0.0653
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0062	0.0093
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0434	0.0434
Brugia malayi	TAR-binding protein	0.0062	0.1196	0.1799
Echinococcus granulosus	subfamily T1A non peptidase ue	0.0029	0.0244	0.0244
Echinococcus multilocularis	proteasome subunit beta type 7	0.0029	0.0244	0.0244
Loa Loa (eye worm)	RNA binding protein	0.0062	0.1196	0.1451
Trypanosoma cruzi	proteasome subunit alpha type-5, putative	0.0029	0.0244	0.0367
Plasmodium vivax	proteasome subunit beta type-4, putative	0.0029	0.0244	0.0367
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0029	0.0244	0.0367
Trypanosoma brucei	proteasome beta 3 subunit, putative	0.0029	0.0244	0.0367
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0029	0.0244	0.0296
Giardia lamblia	Proteasome subunit beta type 3	0.0029	0.0244	0.0367
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0434	0.0297
Toxoplasma gondii	proteasome subunit	0.0029	0.0244	0.0367
Entamoeba histolytica	proteasome subunit alpha type 3, putative	0.0029	0.0244	0.0367
Onchocerca volvulus		0.0029	0.0248	0.0007
Echinococcus multilocularis	proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta	0.0029	0.0244	0.0244
Trypanosoma cruzi	proteasome subunit alpha type-5, putative	0.0029	0.0244	0.0367
Brugia malayi	proteasome subunit alpha type 6	0.0029	0.0244	0.0367
Entamoeba histolytica	proteasome subunit alpha type 6, putative	0.0029	0.0244	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0219	0.0266
Entamoeba histolytica	proteasome subunit alpha type 5, putative	0.0029	0.0244	0.0367
Brugia malayi	Importin beta-1 subunit	0.0028	0.0219	0.0329
Echinococcus granulosus	proteasome subunit beta type 7	0.0029	0.0244	0.0244
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0434	0.0653
Plasmodium falciparum	proteasome subunit alpha type-2, putative	0.0029	0.0244	0.0367
Leishmania major	proteasome beta 5 subunit, putative	0.0249	0.6645	1
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.008	0.1716	0.1716
Trypanosoma brucei	proteasome alpha 3 subunit, putative	0.0029	0.0244	0.0367
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.0519	0.0781
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0249	0.6645	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0519	0.0519
Loa Loa (eye worm)	proteasome subunit beta type 1	0.008	0.1716	0.2083
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0434	0.0653
Entamoeba histolytica	proteasome subunit beta Type 4 precursor, putative	0.0029	0.0244	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0434	0.0527
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0434	0.0297
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0039	0.0519	0.0781
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0219	0.0219
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.008	0.1716	0.1716
Entamoeba histolytica	proteasome subunit beta type 7-B precursor, putative	0.0029	0.0244	0.0367
Toxoplasma gondii	peptidase, T1 family protein	0.0029	0.0244	0.0367
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0434	0.0653
Trypanosoma brucei	proteasome beta 6 subunit	0.008	0.1716	0.2583
Loa Loa (eye worm)	proteasome subunit alpha type 7-1	0.0029	0.0244	0.0296
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0378	0.0569
Giardia lamblia	Proteasome subunit beta type 1	0.008	0.1716	0.2583
Echinococcus multilocularis	subfamily T1A non peptidase ue	0.0029	0.0244	0.0244
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0219	0.0329
Trypanosoma brucei	ATP-dependent protease subunit HslV	0.0029	0.0244	0.0367
Echinococcus multilocularis	20S proteasome subunit alpha 6	0.0029	0.0244	0.0244
Trypanosoma cruzi	proteasome alpha 3 subunit, putative	0.0029	0.0244	0.0367
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0249	0.6645	1
Brugia malayi	Pre-SET motif family protein	0.0205	0.5375	0.8088
Brugia malayi	proteasome subunit alpha type 1	0.0029	0.0244	0.0367
Echinococcus multilocularis	geminin	0.0364	1	1
Onchocerca volvulus		0.0036	0.0434	0.0319
Trypanosoma brucei	Proteasome subunit A N-terminal signature/Proteasome subunit, putative	0.0029	0.0244	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0378	0.0459
Brugia malayi	Proteasome A-type and B-type family protein	0.0029	0.0244	0.0367
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0249	0.6645	1
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0029	0.0244	0.0367
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0248	0.0248
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0519	0.0519
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0434	0.0297
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0434	0.0527
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0434	0.0297
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0029	0.0244	0.0367
Plasmodium vivax	proteasome subunit alpha type-4, putative	0.0029	0.0244	0.0367
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0434	0.0297
Brugia malayi	RNA binding protein	0.0062	0.1196	0.1799
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0434	0.0434
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0434	0.0297
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0434	0.0297
Giardia lamblia	20S proteasome alpha subunit 2	0.0029	0.0244	0.0367
Giardia lamblia	Proteasome subunit beta type 7 precursor	0.0029	0.0244	0.0367
Mycobacterium ulcerans	lipase LipD	0.0036	0.0434	0.0297
Schistosoma mansoni	ap endonuclease	0.0039	0.0519	0.0519
Trypanosoma cruzi	proteasome beta 6 subunit, putative	0.008	0.1716	0.2583
Echinococcus multilocularis	proteasome (prosome macropain) subunit alpha	0.0029	0.0244	0.0244
Echinococcus granulosus	proteasome subunit alpha type 6	0.0029	0.0244	0.0244
Giardia lamblia	20S proteasome alpha subunit 6	0.0029	0.0244	0.0367
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0029	0.0244	0.0244
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0029	0.0244	0.0367
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0434	0.0297
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0161	0.4083	0.4083
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.1196	0.1196
Plasmodium falciparum	histone acetyltransferase GCN5	0.0043	0.0655	0.0985
Plasmodium vivax	proteasome subunit beta type-2, putative	0.0054	0.0967	0.1455
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0836	0.1258
Echinococcus granulosus	snurportin 1	0.0304	0.8241	0.8241
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0248	0.0248
Giardia lamblia	Histone acetyltransferase GCN5	0.0043	0.0655	0.0985
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0039	0.0519	0.0429
Trypanosoma cruzi	proteasome alpha 2 subunit, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0871	0.0871
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0054	0.0967	0.1173
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0029	0.0244	0.0367
Brugia malayi	proteasome subunit beta type 1	0.008	0.1716	0.2583
Trypanosoma cruzi	proteasome beta-1 subunit, putative	0.0029	0.0244	0.0367
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0039	0.0519	0.0781
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0029	0.0244	0.0367
Entamoeba histolytica	proteasome subunit alpha type 7, putative	0.0029	0.0244	0.0367
Entamoeba histolytica	proteasome subunit alpha type 2-A, putative	0.0029	0.0244	0.0367
Plasmodium vivax	proteasome subunit alpha type-2, putative	0.0029	0.0244	0.0367
Plasmodium falciparum	proteasome subunit alpha type-7, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1196	0.1196
Schistosoma mansoni	hypothetical protein	0.0364	1	1
Schistosoma mansoni	ap endonuclease	0.0039	0.0519	0.0519
Brugia malayi	RNA, U transporter 1	0.0081	0.1748	0.263
Toxoplasma gondii	proteasome subunit beta type 7 precursor, putative	0.0029	0.0244	0.0367
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0249	0.6645	1
Plasmodium vivax	proteasome subunit beta type-7, putative	0.0029	0.0244	0.0367
Trypanosoma cruzi	proteasome alpha 1 subunit, putative	0.0029	0.0244	0.0367
Toxoplasma gondii	ABC1 family protein	0.0036	0.0434	0.0653
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0249	0.6645	0.8063
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0519	0.0781
Entamoeba histolytica	proteasome subunit alpha type 1, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	proteasome subunit alpha 2 (T01 family)	0.0029	0.0244	0.0244
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0434	0.0653
Toxoplasma gondii	proteasome subunit beta type, putative	0.0249	0.6645	1
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0054	0.0967	0.0967
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.5375	0.6521
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.1196	0.1451
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0029	0.0244	0.0244
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0434	0.0297
Plasmodium vivax	proteasome subunit alpha type-7, putative	0.0029	0.0244	0.0367
Trypanosoma cruzi	20S proteasome subunit	0.0054	0.0967	0.1455
Trypanosoma brucei	proteasome beta 7 subunit	0.0029	0.0244	0.0367
Loa Loa (eye worm)	20S proteasome alpha5 subunit	0.0029	0.0244	0.0296
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0047	0.077	0.1158
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0217	0.0217
Mycobacterium ulcerans	proteasome PrcB	0.0249	0.6645	1
Brugia malayi	proteasome subunit alpha type 4	0.0029	0.0244	0.0367
Trypanosoma cruzi	hslVU complex proteolytic subunit, threonine peptidase, Clan T(1), family T1B	0.0029	0.0244	0.0367
Leishmania major	proteasome alpha 2 subunit, putative	0.0029	0.0244	0.0367
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0871	0.0871
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0054	0.0967	0.1455
Entamoeba histolytica	calcium-dependent protein kinase 2, putative	0.0029	0.0244	0.0367
Leishmania major	proteasome beta 7 subunit, putative	0.0029	0.0244	0.0367
Toxoplasma gondii	proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative	0.0029	0.0244	0.0367
Trichomonas vaginalis	esterase, putative	0.0036	0.0434	0.0653
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0039	0.0519	1
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0029	0.0244	0.0367
Plasmodium vivax	ATP-dependent protease subunit ClpQ, putative	0.0029	0.0244	0.0367
Plasmodium vivax	proteasome subunit beta type-1, putative	0.008	0.1716	0.2583
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0519	0.0629
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0157	0.3951	0.3951
Brugia malayi	beta-lactamase	0.0036	0.0434	0.0653
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0519	0.0781
Trypanosoma cruzi	proteasome alpha 7 subunit, putative	0.0029	0.0244	0.0367
Toxoplasma gondii	proteasome subunit alpha type 5-2, putative	0.0029	0.0244	0.0367
Trypanosoma brucei	proteasome subunit alpha type-5, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	proteasome subunit alpha 3 (T01 family)	0.0029	0.0244	0.0244
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0248	0.0248
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0029	0.0244	0.0367
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0054	0.0967	0.0967
Toxoplasma gondii	proteasome subunit alpha1, putative	0.0029	0.0244	0.0367
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0029	0.0244	0.0244
Trichomonas vaginalis	Family T1, proteasome alpha subunit, threonine peptidase	0.0029	0.0244	0.0367
Leishmania major	20s proteasome beta 7 subunit, (putative)	0.0029	0.0244	0.0367
Echinococcus granulosus	20S proteasome subunit alpha 6	0.0029	0.0244	0.0244
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.6062	0.909
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0029	0.0244	0.0244
Plasmodium falciparum	proteasome subunit beta type-5	0.0249	0.6645	1
Toxoplasma gondii	proteasome subunit alpha type 1, putative	0.0029	0.0244	0.0367
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0047	0.077	0.1158

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.6535 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)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1566649

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1420605