TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 493.567 | Formula: C24H29F2N3O4S
H donors: 1 H acceptors: 4 LogP: 3.22 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(c(c1)C)C)CC(=O)Nc1c(F)cccc1F
InChi: 1S/C24H29F2N3O4S/c1-4-28(15-22(30)27-23-20(25)6-5-7-21(23)26)24(31)18-10-12-29(13-11-18)34(32,33)19-9-8-16(2)17(3)14-19/h5-9,14,18H,4,10-13,15H2,1-3H3,(H,27,30)
InChiKey: WDCFCKOLMZOVPW-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	PIKK family atypical protein kinase	0.0027	0.0168	0.0408
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3887	0.9411
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.0339	0.4581	0.4581
Trichomonas vaginalis	beta lactamase domain, putative	0.0307	0.4131	1
Leishmania major	metallo-beta-lactamase family protein-like protein	0.0307	0.4131	1
Toxoplasma gondii	hydroxyacylglutathione hydrolase	0.0307	0.4131	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0036	0.0296	0.0717
Schistosoma mansoni	hypothetical protein	0.0176	0.2277	0.2277
Trypanosoma cruzi	glyoxalase II	0.0307	0.4131	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0057	0.0137
Trichomonas vaginalis	beta lactamase domain, putative	0.0307	0.4131	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3887	0.9411
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.4131	1
Mycobacterium ulcerans	hypothetical protein	0.0307	0.4131	1
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.0339	0.4581	0.4581
Mycobacterium tuberculosis	Conserved protein	0.0307	0.4131	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0045	0.0427	0.1033
Mycobacterium tuberculosis	Possible hydrolase	0.0307	0.4131	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0202	0.0488
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Mycobacterium leprae	conserved hypothetical protein	0.0307	0.4131	1
Mycobacterium ulcerans	hypothetical protein	0.0307	0.4131	1
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0307	0.4131	0.4131
Mycobacterium leprae	conserved hypothetical protein	0.0307	0.4131	1
Echinococcus granulosus	alkaline phosphatase	0.0339	0.4581	0.4581
Mycobacterium tuberculosis	Possible hydrolase	0.0307	0.4131	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0307	0.4131	1
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase	0.0307	0.4131	1
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase cytoplasmic	0.0307	0.4131	1
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0307	0.4131	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0123	0.0164
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0045	0.0427	0.0909
Entamoeba histolytica	alkyl sulfatase, putative	0.0307	0.4131	1
Trichomonas vaginalis	beta lactamase domain, putative	0.0307	0.4131	1
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.4131	1
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0307	0.4131	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0057	0.0137
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3887	0.9411
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0045	0.0427	0.1033
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0057	0.0137
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.029	0.3887	0.9403
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0057	0.0137
Toxoplasma gondii	metallo-beta-lactamase domain-containing protein	0.0307	0.4131	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0057	0.0137
Onchocerca volvulus		0.0307	0.4131	1
Brugia malayi	hypothetical protein	0.0307	0.4131	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0123	0.0242
Leishmania major	DNA polymerase eta, putative	0.0019	0.0057	0.0137
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0057	0.0046
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0295	0.0715
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.0339	0.4581	0.4581
Leishmania major	hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative	0.0307	0.4131	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0057	0.0057
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0307	0.4131	1
Schistosoma mansoni	hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II)	0.0307	0.4131	0.4131
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0307	0.4131	1
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0307	0.4131	0.4131
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0427	0.1033
Brugia malayi	Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site.	0.0307	0.4131	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0123	0.0209
Trypanosoma brucei	cleavage and polyadenylation specificity factor subunit, putative	0.0307	0.4131	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0262	0.0635
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0168	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0131	0.0317
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0123	0.0209
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0142	0.1789	0.4278
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0123	0.0299
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0045	0.0427	0.0427
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0123	0.0164
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0469	0.0469
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0307	0.4131	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0131	0.0318
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0057	0.0137
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Mycobacterium tuberculosis	Conserved protein	0.0307	0.4131	1
Schistosoma mansoni	hypothetical protein	0.0307	0.4131	0.4131
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.4131	1
Mycobacterium ulcerans	glyoxalase II, GloB	0.0307	0.4131	1
Echinococcus multilocularis	tumor protein p63	0.033	0.446	0.446
Mycobacterium leprae	Beta-lactamase-like protein	0.0307	0.4131	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0123	0.0242
Onchocerca volvulus	Hydroxyacylglutathione hydrolase, mitochondrial homolog	0.0307	0.4131	1
Mycobacterium ulcerans	hydrolase	0.0307	0.4131	1
Plasmodium falciparum	cytosolic glyoxalase II	0.0307	0.4131	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3887	0.9411
Wolbachia endosymbiont of Brugia malayi	metallo-beta-lactamase superfamily hydrolase	0.0307	0.4131	0.5
Plasmodium vivax	unspecified product	0.0307	0.4131	1
Loa Loa (eye worm)	hypothetical protein	0.0307	0.4131	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0123	0.0209
Brugia malayi	ethe1-prov protein	0.0307	0.4131	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0131	0.0317
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0123	0.0209
Mycobacterium ulcerans	hydrolase	0.0307	0.4131	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0123	0.0299
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0262	0.0635
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.0339	0.4581	0.4581
Mycobacterium tuberculosis	Conserved protein	0.0307	0.4131	1
Echinococcus granulosus	dna polymerase eta	0.0019	0.0057	0.0057
Trichomonas vaginalis	beta lactamase domain, putative	0.0307	0.4131	1
Entamoeba histolytica	type A flavoprotein, putative	0.0307	0.4131	1
Entamoeba histolytica	hypothetical protein, conserved	0.0307	0.4131	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0057	0.0137
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3887	0.9411
Trypanosoma cruzi	glyoxalase II	0.0307	0.4131	1
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0307	0.4131	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0295	0.0715
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0215	0.0522
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0038	0.0091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0295	0.0715
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0262	0.0635
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0019	0.0051	0.0124
Entamoeba histolytica	type A flavoprotein, putative	0.0307	0.4131	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0123	0.0164
Giardia lamblia	Fructose-bisphosphate aldolase	0.029	0.3887	0.9403
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0057	0.0057
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0307	0.4131	1
Giardia lamblia	Metallo-beta-lactamase superfamily protein	0.0307	0.4131	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0123	0.0299
Schistosoma mansoni	zinc phosphodiesterase	0.0307	0.4131	0.4131
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0038	0.0091
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0131	0.0317
Schistosoma mansoni	alkaline phosphatase	0.0339	0.4581	0.4581
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.0427	0.1033
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0307	0.4131	0.4131
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0123	0.0299
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0165	0.0398
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0165	0.0398
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0123	0.0209
Echinococcus granulosus	hydroxyacylglutathione hydrolase	0.0307	0.4131	0.4131
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0131	0.0318
Mycobacterium ulcerans	beta lactamase-like protein	0.0307	0.4131	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0057	0.008
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0088	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0038	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0307	0.4131	1
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0057	0.0057
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0307	0.4131	0.4131
Leishmania major	metallo-beta-lactamase family-like protein	0.0307	0.4131	1
Mycobacterium ulcerans	Zn-dependent glyoxylase	0.0307	0.4131	1
Trypanosoma brucei	hydroxyacylglutathione hydrolase, putative	0.0307	0.4131	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Plasmodium vivax	hydroxyacyl glutathione hydrolase, putative	0.0307	0.4131	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.029	0.3887	0.9403
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0123	0.0299
Echinococcus multilocularis	zinc phosphodiesterase	0.0307	0.4131	0.4131
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0038	0.0091
Echinococcus multilocularis	ETHE1 protein	0.0307	0.4131	0.4131
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0045	0.0427	0.0909
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0307	0.4131	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0057	0.0057
Mycobacterium tuberculosis	Beta lactamase like protein	0.0307	0.4131	1
Onchocerca volvulus		0.0048	0.0469	0.0862
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0333	0.0806
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0142	0.1789	0.4297
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0469	0.1135
Echinococcus multilocularis	hydroxyacylglutathione hydrolase	0.0307	0.4131	0.4131
Schistosoma mansoni	microtubule-associated protein tau	0.0721	1	1
Giardia lamblia	Hydroxyacylglutathione hydrolase	0.0307	0.4131	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0427	0.1033
Leishmania major	cleavage and polyadenylation specificity factor, putative	0.0307	0.4131	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0057	0.0057
Onchocerca volvulus		0.0307	0.4131	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0123	0.0209
Schistosoma mansoni	alkaline phosphatase	0.0339	0.4581	0.4581
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0307	0.4131	1
Treponema pallidum	ribonuclease Z	0.0307	0.4131	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0123	0.0299
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.0339	0.4581	0.4581
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0045	0.0427	0.0427
Mycobacterium ulcerans	hydrolase	0.0307	0.4131	1
Echinococcus granulosus	intestinal type alkaline phosphatase	0.0339	0.4581	0.4581
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0262	0.0635
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0295	0.0715
Trypanosoma brucei	unspecified product	0.0019	0.0057	0.0137
Trichomonas vaginalis	A-type flavoprotein	0.0307	0.4131	1
Trypanosoma brucei	metallo-beta-lactamase-like protein, putative	0.0307	0.4131	1
Onchocerca volvulus	Putative hydrolase PNKD	0.0307	0.4131	1
Mycobacterium ulcerans	hypothetical protein	0.0307	0.4131	1
Loa Loa (eye worm)	metallo-beta-lactamase superfamily protein	0.0307	0.4131	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0307	0.4131	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0123	0.0209
Trichomonas vaginalis	beta lactamase domain, putative	0.0307	0.4131	1
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0307	0.4131	1
Giardia lamblia	GTOR	0.0045	0.0427	0.0909
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0307	0.4131	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3887	0.9411
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0123	0.0299
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0045	0.0427	0.1033
Entamoeba histolytica	metallo-beta-lactamase family protein	0.0307	0.4131	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0131	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0057	0.0137
Echinococcus granulosus	ETHE1 protein	0.0307	0.4131	0.4131
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0057	0.0137
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0045	0.0427	0.1033
Entamoeba histolytica	alkyl sulfatase, putative	0.0307	0.4131	1
Echinococcus multilocularis	microtubule associated protein 2	0.0721	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0168	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0427	0.1033
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0142	0.1789	0.4156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0427	0.1033
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0123	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0123	0.0299
Schistosoma mansoni	hypothetical protein	0.0307	0.4131	0.4131
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0427	0.1033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0262	0.0635
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0057	0.0057
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0045	0.0427	0.1033
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0307	0.4131	1
Echinococcus multilocularis	alkaline phosphatase	0.0339	0.4581	0.4581
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.4131	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0057	0.008
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0307	0.4131	1
Loa Loa (eye worm)	hypothetical protein	0.0307	0.4131	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0131	0.0318
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0307	0.4131	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.4131	1
Trypanosoma cruzi	glyoxalase II	0.0307	0.4131	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0057	0.0057
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0038	0.0034
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0307	0.4131	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0038	0.0091
Chlamydia trachomatis	ribonuclease Z	0.0307	0.4131	1
Entamoeba histolytica	metallo-beta-lactamase superfamily protein	0.0307	0.4131	1
Schistosoma mansoni	zinc phosphodiesterase	0.0307	0.4131	0.4131
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0057	0.0046
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0057	0.0137
Trichomonas vaginalis	conserved hypothetical protein	0.0307	0.4131	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0057	0.0137
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0123	0.0209
Echinococcus granulosus	tumor protein p63	0.033	0.446	0.446
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3887	0.9411
Echinococcus granulosus	zinc phosphodiesterase	0.0307	0.4131	0.4131
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.029	0.3887	0.9411
Leishmania major	hypothetical protein, conserved	0.0307	0.4131	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0057	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0262	0.0635
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0296	0.0717
Mycobacterium ulcerans	hypothetical protein	0.0307	0.4131	1
Schistosoma mansoni	hypothetical protein	0.0307	0.4131	0.4131
Trichomonas vaginalis	beta lactamase domain, putative	0.0307	0.4131	1
Mycobacterium leprae	POSSIBLE HYDROLASE	0.0307	0.4131	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0262	0.0635
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0057	0.0137
Trypanosoma cruzi	target of rapamycin kinase 3	0.0036	0.0296	0.0717
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0045	0.0427	0.0427
Trypanosoma brucei	glyoxalase II	0.0307	0.4131	1
Loa Loa (eye worm)	hypothetical protein	0.0307	0.4131	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0295	0.0715

Activities

Activity type	Activity value	Assay description	Source	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)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 44.6684 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: CHEMBL1327083

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1250481