TDR Targets

Basic information

Technical information

TDR Targets ID: 1262775
Name: 4-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfa moyl]benzoic acid
MW: 375.32 | Formula: C15H12F3NO5S
H donors: 2 H acceptors: 4 LogP: 2.83 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1S(=O)(=O)Nc1cccc(c1)C(F)(F)F)C(=O)O
InChi: 1S/C15H12F3NO5S/c1-24-12-6-5-9(14(20)21)7-13(12)25(22,23)19-11-4-2-3-10(8-11)15(16,17)18/h2-8,19H,1H3,(H,20,21)
InChiKey: SDTYZUUKHZAHOI-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

MLS000113404
SMR000109303

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768

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
Mycobacterium ulcerans	lipoprotein LpqF	0.0141	0.0649	0.0661
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0134	0.06	0.06
Trypanosoma cruzi	hypothetical protein, conserved	0.1166	0.7579	0.7579
Brugia malayi	RNA binding protein	0.0067	0.0144	0.0144
Echinococcus granulosus	caspase 8	0.0133	0.0595	0.0595
Trypanosoma brucei	metacaspase 5, putative	0.0133	0.0595	0.0595
Trichomonas vaginalis	glutaminase, putative	0.1498	0.9827	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0021	0.0021
Echinococcus granulosus	hexokinase	0.1524	1	1
Trypanosoma cruzi	hexokinase, putative	0.1524	1	1
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0134	0.06	0.0611
Trypanosoma cruzi	metacaspase 5, putative	0.0133	0.0595	0.0595
Onchocerca volvulus		0.1524	1	1
Leishmania major	hypothetical protein, conserved	0.1166	0.7579	0.7579
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0069	0.0069
Trichomonas vaginalis	CAMK family protein kinase	0.0256	0.1426	0.1451
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.1061	0.6872	0.6872
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0134	0.06	0.06
Trypanosoma brucei	Metacaspase-4	0.0133	0.0595	0.0595
Echinococcus multilocularis	caspase 8	0.0133	0.0595	0.0595
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0134	0.06	0.0611
Mycobacterium ulcerans	hypothetical protein	0.0134	0.06	0.0611
Brugia malayi	TAR-binding protein	0.0067	0.0144	0.0144
Loa Loa (eye worm)	glutaminase 2	0.1498	0.9827	0.9827
Echinococcus multilocularis	caspase	0.0499	0.307	0.307
Trypanosoma brucei	polo-like protein kinase	0.0518	0.3194	0.3194
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0144	0.0144
Echinococcus granulosus	caspase 3	0.0366	0.2167	0.2167
Trypanosoma brucei	hexokinase	0.1524	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.0069	0.0069
Trypanosoma brucei	metacaspase MCA2	0.0133	0.0595	0.0595
Trypanosoma cruzi	metacaspase, putative	0.0133	0.0595	0.0595
Trypanosoma brucei	metacaspase MCA3	0.0133	0.0595	0.0595
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0693	0.4381	0.4459
Trypanosoma cruzi	polo-like protein kinase, putative	0.0518	0.3194	0.3194
Onchocerca volvulus		0.0956	0.6159	0.5916
Trypanosoma brucei	beta lactamase	0.0141	0.0649	0.0649
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0133	0.0595	0.0606
Mycobacterium ulcerans	hypothetical protein	0.0134	0.06	0.0611
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0144	0.0144
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0133	0.0595	0.0595
Brugia malayi	Hexokinase family protein	0.0956	0.6159	0.6159
Schistosoma mansoni	serine/threonine protein kinase	0.0518	0.3194	0.3194
Loa Loa (eye worm)	hexokinase	0.0956	0.6159	0.6159
Trichomonas vaginalis	CAMK family protein kinase	0.0518	0.3194	0.325
Echinococcus multilocularis	hexokinase	0.1524	1	1
Trypanosoma brucei	metacaspase	0.0133	0.0595	0.0595
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0133	0.0595	0.0595
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0134	0.06	0.06
Leishmania major	metacaspase, putative	0.0133	0.0595	0.0595
Brugia malayi	Hexokinase family protein	0.1524	1	1
Schistosoma mansoni	glutaminase	0.1498	0.9827	0.9827
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.1107	0.718	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0133	0.0595	0.0606
Brugia malayi	Cell death protein 3 precursor	0.0133	0.0595	0.0595
Echinococcus granulosus	hexokinase	0.1524	1	1
Echinococcus multilocularis	hexokinase	0.1524	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.1166	0.7579	0.7579
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0141	0.0649	1
Trichomonas vaginalis	CAMK family protein kinase	0.0518	0.3194	0.325
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.1061	0.6872	0.6993
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0295	0.1686	0.6859
Brugia malayi	hexokinase type II	0.0484	0.2969	0.2969
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0144	0.0144
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0133	0.0595	0.0606
Trichomonas vaginalis	CAMK family protein kinase	0.0518	0.3194	0.325
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0144	0.0144
Leishmania major	hexokinase, putative	0.1524	1	1
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0144	0.0144
Trypanosoma cruzi	metacaspase, putative	0.0133	0.0595	0.0595
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0518	0.3194	0.3194
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0021	0.0021
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.1107	0.718	0.7001
Schistosoma mansoni	transcription factor LCR-F1	0.0078	0.0221	0.0221
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0144	0.0144
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0144	0.0144
Schistosoma mansoni	hypothetical protein	0.0078	0.0221	0.0221
Echinococcus multilocularis	hexokinase	0.1524	1	1
Entamoeba histolytica	hexokinase 1	0.1524	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0133	0.0595	0.0606
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0021	0.0021
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0021	0.0021
Trypanosoma cruzi	metacaspase 5, putative	0.0133	0.0595	0.0595
Trypanosoma brucei	hexokinase, putative	0.1524	1	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0518	0.3194	0.3194
Brugia malayi	serine/threonine-protein kinase plk-2	0.0518	0.3194	0.3194
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.1061	0.6872	1
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.1061	0.6872	0.6872
Echinococcus granulosus	caspase 2	0.0133	0.0595	0.0595
Echinococcus granulosus	hexokinase type 2	0.1524	1	1
Echinococcus granulosus	hexokinase	0.1524	1	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0518	0.3194	0.2763
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0021	0.0021
Brugia malayi	hypothetical protein	0.0078	0.0221	0.0221
Schistosoma mansoni	kinase	0.0263	0.1472	0.1472
Trypanosoma cruzi	hexokinase, putative	0.1524	1	1
Trypanosoma brucei	hexokinase	0.1524	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0021	0.0021
Entamoeba histolytica	hypothetical protein	0.0078	0.0221	0.0221
Trichomonas vaginalis	conserved hypothetical protein	0.0133	0.0595	0.0606
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0021	0.0021
Loa Loa (eye worm)	glutaminase	0.1498	0.9827	0.9827
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0141	0.0649	0.0308
Schistosoma mansoni	caspase-7 (C14 family)	0.0499	0.307	0.307
Brugia malayi	Hexokinase family protein	0.0471	0.2882	0.2882
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0078	0.0221	0.0221
Entamoeba histolytica	hypothetical protein	0.0078	0.0221	0.0221
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0134	0.06	0.0611
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0693	0.4381	0.4026
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0144	0.0144
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0499	0.307	0.307
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0144	0.0144
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0134	0.06	0.0611
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0295	0.1686	0.1715
Trypanosoma cruzi	metacaspase, putative	0.0133	0.0595	0.0595
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0133	0.0595	0.0606
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0352	0.2071	0.2071
Trichomonas vaginalis	CAMK family protein kinase	0.0518	0.3194	0.325
Trichomonas vaginalis	conserved hypothetical protein	0.0133	0.0595	0.0606
Trichomonas vaginalis	CAMK family protein kinase	0.0518	0.3194	0.325
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0341	0.2002	0.2002
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.1061	0.6872	0.6872
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0144	0.0144
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.1061	0.6872	0.6872
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0133	0.0595	0.0606
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.1107	0.718	0.7306
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0595	0.0595
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0518	0.3194	0.3194
Loa Loa (eye worm)	hypothetical protein	0.0484	0.2969	0.2969
Mycobacterium ulcerans	glutaminase	0.1498	0.9827	1
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.1107	0.718	0.7001
Plasmodium vivax	hexokinase, putative	0.1524	1	1
Loa Loa (eye worm)	hexokinase type II	0.1524	1	1
Echinococcus granulosus	caspase	0.0499	0.307	0.307
Trichomonas vaginalis	CAMK family protein kinase	0.0518	0.3194	0.325
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0518	0.3194	0.3194
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0368	0.2183	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0527	0.326	0.326
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.1107	0.718	0.7001
Loa Loa (eye worm)	hexokinase	0.0471	0.2882	0.2882
Loa Loa (eye worm)	MH2 domain-containing protein	0.0527	0.326	0.326
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.1107	0.718	0.7306
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.0069	0.0069
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0021	0.0021
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0133	0.0595	0.0606
Echinococcus multilocularis	hexokinase type 2	0.1524	1	1
Loa Loa (eye worm)	hypothetical protein	0.0484	0.2969	0.2969
Brugia malayi	glutaminase DH11.1	0.1498	0.9827	0.9827
Schistosoma mansoni	caspase-7 (C14 family)	0.0133	0.0595	0.0595
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0133	0.0595	0.0606
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0595	0.0595
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.1061	0.6872	0.6872
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.1061	0.6872	0.6872
Trichomonas vaginalis	conserved hypothetical protein	0.0133	0.0595	0.0606
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0134	0.06	0.06
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.1107	0.718	0.7306
Entamoeba histolytica	hypothetical protein	0.0078	0.0221	0.0221
Entamoeba histolytica	hexokinase 2	0.1524	1	1
Toxoplasma gondii	hexokinase	0.1524	1	1
Onchocerca volvulus	Hexokinase homolog	0.0956	0.6159	0.5916
Trypanosoma brucei	hypothetical protein, conserved	0.1166	0.7579	0.7579
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0518	0.3194	0.3194
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.0069	0.0069
Onchocerca volvulus		0.1524	1	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0518	0.3194	0.3194
Echinococcus granulosus	citrate lyase subunit beta protein	0.0134	0.06	0.06
Trichomonas vaginalis	CAMK family protein kinase	0.0518	0.3194	0.325
Treponema pallidum	hexokinase (hxk)	0.1524	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0256	0.1426	0.1451
Echinococcus multilocularis	caspase 2	0.0133	0.0595	0.0595
Loa Loa (eye worm)	hexokinase	0.1524	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0133	0.0595	0.0606
Loa Loa (eye worm)	hypothetical protein	0.1039	0.6723	0.6723
Schistosoma mansoni	hexokinase	0.1524	1	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0133	0.0595	0.0606
Brugia malayi	glucose-6-phosphate dehydrogenase	0.1061	0.6872	0.6872
Schistosoma mansoni	caspase-3 (C14 family)	0.0499	0.307	0.307
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0078	0.0221	0.0221
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.1061	0.6872	0.6872
Loa Loa (eye worm)	hexokinase	0.1524	1	1
Onchocerca volvulus		0.1524	1	1
Entamoeba histolytica	hypothetical protein	0.0078	0.0221	0.0221
Plasmodium falciparum	hexokinase	0.1524	1	1
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0499	0.307	0.307
Giardia lamblia	Kinase, PLK	0.0518	0.3194	0.4449
Brugia malayi	MH2 domain containing protein	0.0527	0.326	0.326
Trichomonas vaginalis	conserved hypothetical protein	0.0133	0.0595	0.0606
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.1061	0.6872	0.6872
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0133	0.0595	0.0606
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0021	0.0021
Echinococcus multilocularis	caspase 3	0.0366	0.2167	0.2167
Leishmania major	hexokinase, putative	0.1524	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0144	0.0144
Trypanosoma cruzi	metacaspase, putative	0.0133	0.0595	0.0595

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.5849 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	44.6684 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 100 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1339620

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1262775