TDR Targets

Basic information

Technical information

TDR Targets ID: 1323066
Name: N-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-met hoxyphenyl)sulfonylpiperidine-3-carboxamide
MW: 432.49 | Formula: C21H24N2O6S
H donors: 1 H acceptors: 3 LogP: 2.09 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccc2c(c1)OCCO2
InChi: 1S/C21H24N2O6S/c1-27-17-5-7-18(8-6-17)30(25,26)23-10-2-3-15(14-23)21(24)22-16-4-9-19-20(13-16)29-12-11-28-19/h4-9,13,15H,2-3,10-12,14H2,1H3,(H,22,24)
InChiKey: RDWYDDJRSNTVCH-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

N-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide
N-(2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide
TULIP028140
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid (2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
MLS000123462
SMR000124035
ASN 05975177
Oprea1_050829

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Echinococcus multilocularis	aldo keto reductase	0.0132	0.0873	0.0611
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0132	0.0873	0.1975
Trypanosoma cruzi	cysteine peptidase, putative	0.0262	0.2162	0.1937
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0073	0.0279	0.0279
Onchocerca volvulus		0.0262	0.2162	1
Plasmodium vivax	vivapain-2	0.0262	0.2162	1
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Trypanosoma cruzi	cruzipain precursor, putative	0.0076	0.0316	0.0038
Onchocerca volvulus		0.0132	0.0873	0.3153
Trypanosoma cruzi	aldo-keto reductase	0.0132	0.0873	0.0611
Trypanosoma cruzi	aldo/keto reductase, putative	0.0132	0.0873	0.0611
Giardia lamblia	Cathepsin B precursor	0.0374	0.3285	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0262	0.2162	0.6262
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0185	0.1398	0.1398
Entamoeba histolytica	cysteine proteinase 1, putative	0.0149	0.1042	0.4054
Echinococcus multilocularis	aldo keto reductase	0.0132	0.0873	0.0611
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0262	0.2162	1
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Echinococcus granulosus	aldo keto reductase	0.0132	0.0873	0.0611
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0262	0.2162	0.6262
Schistosoma mansoni	aldo-keto reductase	0.0132	0.0873	0.0611
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0262	0.2162	0.2162
Schistosoma mansoni	cathepsin F (C01 family)	0.0185	0.1398	0.1152
Trypanosoma cruzi	cysteine proteinase, putative	0.0149	0.1042	0.0785
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0149	0.1042	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.0279	0.0279
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Leishmania major	cathepsin L-like protease	0.0262	0.2162	0.5343
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0316	0.0316
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Leishmania major	cathepsin L-like protease	0.0262	0.2162	0.5343
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1398	0.1398
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Echinococcus multilocularis	cysteine protease	0.0262	0.2162	0.1937
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0073	0.0279	0.0279
Loa Loa (eye worm)	oxidoreductase	0.0132	0.0873	0.0873
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0262	0.2162	0.6262
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Entamoeba histolytica	cysteine proteinase, putative	0.0185	0.1398	0.5946
Loa Loa (eye worm)	oxidoreductase	0.0132	0.0873	0.0873
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0262	0.2162	0.6262
Entamoeba histolytica	cysteine proteinase, putative	0.0262	0.2162	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.0073	0.0279	0.0279
Brugia malayi	Cathepsin L-like precursor	0.0262	0.2162	0.2162
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0262	0.2162	0.1937
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0374	0.3285	1
Echinococcus multilocularis	cathepsin b	0.1047	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0149	0.1042	0.2539
Brugia malayi	Cathepsin L-like precursor	0.0076	0.0316	0.0316
Echinococcus granulosus	cathepsin b	0.1047	1	1
Onchocerca volvulus		0.0132	0.0873	0.3153
Trypanosoma cruzi	cysteine peptidase, putative	0.0149	0.1042	0.0785
Entamoeba histolytica	aldose reductase, putative	0.0132	0.0873	0.3153
Onchocerca volvulus		0.0132	0.0873	0.3153
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Giardia lamblia	Cathepsin B precursor	0.0374	0.3285	1
Brugia malayi	Cathepsin L-like precursor	0.0185	0.1398	0.1398
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0132	0.0873	0.1975
Leishmania major	cathepsin L-like protease	0.0262	0.2162	0.5343
Onchocerca volvulus		0.0262	0.2162	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Brugia malayi	Papain family cysteine protease containing protein	0.0149	0.1042	0.1042
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0149	0.1042	0.0785
Schistosoma mansoni	cathepsin F (C01 family)	0.0262	0.2162	0.1937
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0132	0.0873	0.1975
Plasmodium vivax	unspecified product	0.0149	0.1042	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0279	0.0279
Schistosoma mansoni	cathepsin F (C01 family)	0.0262	0.2162	0.1937
Trichomonas vaginalis	aldo/keto reductase, putative	0.0132	0.0873	0.1975
Onchocerca volvulus		0.0185	0.1398	0.5946
Brugia malayi	cathepsin F-like cysteine proteinase	0.0073	0.0279	0.0279
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.9324	0.9304
Onchocerca volvulus	Cathepsin F homolog	0.0262	0.2162	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Giardia lamblia	Cathepsin B precursor	0.0374	0.3285	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0149	0.1042	0.0703
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Brugia malayi	cathepsin L-like precursor	0.0185	0.1398	0.1398
Leishmania major	cathepsin L-like protease	0.0262	0.2162	0.5343
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0873	0.0873
Onchocerca volvulus		0.0132	0.0873	0.3153
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0073	0.0279	0.0279
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0149	0.1042	0.0785
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0132	0.0873	0.0873
Trypanosoma cruzi	cysteine proteinase, putative	0.0149	0.1042	0.0785
Echinococcus granulosus	cathepsin l1	0.0185	0.1398	0.1152
Echinococcus multilocularis	aldo keto reductase	0.0132	0.0873	0.0611
Trypanosoma cruzi	cysteine peptidase, putative	0.0076	0.0316	0.0038
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0316	0.0316
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0073	0.0279	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0279	0.0279
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0076	0.0316	0.0316
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0279	0.0279
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Echinococcus multilocularis	cathepsin L cysteine protease	0.0262	0.2162	0.1937
Trypanosoma cruzi	cysteine peptidase, putative	0.0262	0.2162	0.1937
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0262	0.2162	0.1937
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0149	0.1042	0.0703
Entamoeba histolytica	cysteine proteinase 2	0.0149	0.1042	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0262	0.2162	1
Echinococcus granulosus	cathepsin b	0.1047	1	1
Toxoplasma gondii	cathepsin CPL	0.0262	0.2162	0.6262
Brugia malayi	cathepsin F-like cysteine proteinase	0.0076	0.0316	0.0316
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0262	0.2162	0.1937
Brugia malayi	fibroinase precursor	0.0073	0.0279	0.0279
Echinococcus multilocularis	aldo keto reductase	0.0132	0.0873	0.0611
Brugia malayi	Cathepsin L-like precursor	0.0185	0.1398	0.1398
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0132	0.0873	0.0611
Toxoplasma gondii	aldose reductase, putative	0.0132	0.0873	0.1975
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0374	0.3285	0.3093
Plasmodium vivax	vivapain-2	0.0262	0.2162	1
Echinococcus granulosus	cathepsin l1	0.0262	0.2162	0.1937
Brugia malayi	Cathepsin L-like precursor	0.0262	0.2162	0.2162
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0149	0.1042	0.0785
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.0262	0.2162	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0132	0.0873	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0279	0.0279
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.0279	0.0279
Onchocerca volvulus		0.0132	0.0873	0.3153
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0262	0.2162	0.6262
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0262	0.2162	0.6262
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0132	0.0873	0.0873
Loa Loa (eye worm)	cysteine protease	0.0262	0.2162	0.2162
Onchocerca volvulus		0.0262	0.2162	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0262	0.2162	0.1937
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0073	0.0279	0.0279
Brugia malayi	Cathepsin L-like precursor	0.0262	0.2162	0.2162
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0262	0.2162	0.6262
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Trichomonas vaginalis	aldo/keto reductase, putative	0.0132	0.0873	0.1975
Loa Loa (eye worm)	ctsf protein	0.0262	0.2162	0.2162
Echinococcus granulosus	hypothetical protein	0.0132	0.0873	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1398	0.1398
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1398	0.1398
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0132	0.0873	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0073	0.0279	0.0279
Schistosoma mansoni	aldo-keto reductase	0.0132	0.0873	0.0611
Brugia malayi	cathepsin L precursor	0.0073	0.0279	0.0279
Echinococcus granulosus	aldehyde reductase	0.0094	0.049	0.0217
Onchocerca volvulus	Cathepsin L homolog	0.0262	0.2162	1
Brugia malayi	Papain family cysteine protease containing protein	0.0262	0.2162	0.2162
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0132	0.0873	0.0873
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0262	0.2162	0.6262
Leishmania major	cathepsin L-like protease	0.0262	0.2162	0.5343
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Onchocerca volvulus		0.0132	0.0873	0.3153
Echinococcus granulosus	cathepsin L cysteine protease	0.0149	0.1042	0.0785
Plasmodium vivax	vivapain-3	0.0149	0.1042	0.4054
Toxoplasma gondii	cathepsin B	0.0374	0.3285	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0185	0.1398	0.1152
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0149	0.1042	0.0785
Trypanosoma cruzi	cysteine protease, putative	0.0149	0.1042	0.0785
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Schistosoma mansoni	pol-related	0.0132	0.0873	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0279	0.0279
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0076	0.0316	0.0316
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1047	1	1
Leishmania major	cathepsin L-like protease	0.0262	0.2162	0.5343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0132	0.0873	0.0611
Echinococcus multilocularis	cathepsin b	0.1047	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Loa Loa (eye worm)	oxidoreductase	0.0132	0.0873	0.0873
Mycobacterium ulcerans	oxidoreductase	0.0132	0.0873	0.5
Loa Loa (eye worm)	oxidoreductase	0.0132	0.0873	0.0873
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Echinococcus multilocularis	cysteine protease	0.0262	0.2162	0.1937
Giardia lamblia	Aldose reductase	0.0132	0.0873	0.1975
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0279	0.0279
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Leishmania major	cathepsin L-like protease	0.0262	0.2162	0.5343
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0262	0.2162	0.1937
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Brugia malayi	Cathepsin L-like precursor	0.0262	0.2162	0.2162
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0262	0.2162	0.2162
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.0279	0.0279
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1047	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0262	0.2162	0.6262
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.1398	0.3724
Loa Loa (eye worm)	cathepsin B	0.0374	0.3285	0.3285
Echinococcus granulosus	cysteine protease	0.0149	0.1042	0.0785
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0132	0.0873	0.0611
Loa Loa (eye worm)	fibroinase	0.0262	0.2162	0.2162
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Schistosoma mansoni	cathepsin s	0.0076	0.0316	0.0038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0149	0.1042	0.2539
Brugia malayi	Cathepsin L-like precursor	0.0262	0.2162	0.2162
Trypanosoma cruzi	cruzipain precursor, putative	0.0262	0.2162	0.1937
Trichomonas vaginalis	aldo/keto reductase, putative	0.0132	0.0873	0.1975
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Brugia malayi	Cathepsin L-like precursor	0.0262	0.2162	0.2162
Giardia lamblia	Aldose reductase	0.0132	0.0873	0.1975
Onchocerca volvulus		0.0262	0.2162	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0132	0.0873	0.0611
Echinococcus granulosus	aldo keto reductase	0.0132	0.0873	0.0611
Onchocerca volvulus		0.0262	0.2162	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0374	0.3285	1
Entamoeba histolytica	cysteine proteinase, putative	0.0149	0.1042	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0374	0.3285	0.3093
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0132	0.0873	0.0611
Leishmania major	cysteine peptidase A (CPA)	0.0262	0.2162	0.5343
Entamoeba histolytica	cysteine protease, putative	0.0262	0.2162	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0316	0.0316
Loa Loa (eye worm)	oxidoreductase	0.0132	0.0873	0.0873
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0262	0.2162	0.6262
Onchocerca volvulus		0.0262	0.2162	1
Onchocerca volvulus		0.0262	0.2162	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1047	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0149	0.1042	0.1042
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0262	0.2162	0.2162
Echinococcus multilocularis	cathepsin L cysteine protease	0.0262	0.2162	0.1937
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0132	0.0873	0.0611
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Trypanosoma cruzi	cysteine peptidase, putative	0.0262	0.2162	0.1937
Leishmania major	cathepsin L-like protease	0.0262	0.2162	0.5343
Entamoeba histolytica	cysteine proteinase, putative	0.0149	0.1042	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2162	0.5343
Plasmodium vivax	unspecified product	0.0076	0.0316	0.0194
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Entamoeba histolytica	aldose reductase, putative	0.0132	0.0873	0.3153
Entamoeba histolytica	aldose reductase, putative	0.0132	0.0873	0.3153
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0374	0.3285	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0132	0.0873	0.0611
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Mycobacterium tuberculosis	Probable oxidoreductase	0.0132	0.0873	0.5
Entamoeba histolytica	cysteine protease, putative	0.0149	0.1042	0.4054
Echinococcus granulosus	aldo keto reductase	0.0132	0.0873	0.0611
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0132	0.0873	0.0873
Loa Loa (eye worm)	hypothetical protein	0.1047	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0132	0.0873	0.0611
Echinococcus multilocularis	cathepsin L	0.0149	0.1042	0.0785
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1047	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0262	0.2162	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0149	0.1042	0.4054
Echinococcus granulosus	cathepsin L	0.0149	0.1042	0.0785
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0262	0.2162	0.6262
Entamoeba histolytica	cysteine proteinase, putative	0.0149	0.1042	0.4054
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0132	0.0873	0.0611
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1047	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.1398	0.3724
Trichomonas vaginalis	aldo-keto reductase, putative	0.0132	0.0873	0.1975
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2162	0.6262
Echinococcus multilocularis	aldehyde reductase	0.0094	0.049	0.0217
Plasmodium vivax	vivapain-1	0.0149	0.1042	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0262	0.2162	1

Activities

Activity type	Activity value	Assay description	Source	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)	18.3564 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)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	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: CHEMBL1455518

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1323066