TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 419.397 | Formula: C21H20F3N3O3
H donors: 1 H acceptors: 3 LogP: 3.56 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N[C@@H](c1ccc(cn1)OCC(F)(F)F)C)Cc1ccc(cc1)c1ocnc1C
InChi: 1S/C21H20F3N3O3/c1-13(18-8-7-17(10-25-18)29-11-21(22,23)24)27-19(28)9-15-3-5-16(6-4-15)20-14(2)26-12-30-20/h3-8,10,12-13H,9,11H2,1-2H3,(H,27,28)/t13-/m1/s1
InChiKey: KQKOQYVVBIYAKK-CYBMUJFWSA-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
Echinococcus granulosus	tissue type plasminogen activator	0.0068	0.0586	0.2044
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0116	0.1158	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0088	0.0225
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0088	0.0274
Brugia malayi	Trypsin-like protease protein 5	0.0039	0.0248	0.081
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0159	0.1175
Schistosoma mansoni	hypothetical protein	0.0068	0.0586	0.4949
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0031	0.0159	1
Brugia malayi	hypothetical protein	0.0131	0.1332	0.4764
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Echinococcus granulosus	transmembrane protease serine 3	0.0039	0.0248	0.081
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0088	0.0659
Echinococcus granulosus	glycoprotein Antigen 5	0.0039	0.0248	0.081
Onchocerca volvulus		0.0025	0.0088	0.0467
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0088	0.0659
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0242	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0248	0.0856
Schistosoma mansoni	hypothetical protein	0.0039	0.0248	0.1962
Trichomonas vaginalis	phosphofructokinase, putative	0.0116	0.1158	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0053
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0242	0.0903
Toxoplasma gondii	microneme protein, putative	0.002	0.0027	0.0002
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0026	0.5
Brugia malayi	Trypsin family protein	0.0039	0.0248	0.081
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0242	0.1913
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0088	0.0659
Loa Loa (eye worm)	PAN domain-containing protein	0.002	0.0027	0.0053
Toxoplasma gondii	PAN domain-containing protein	0.002	0.0027	0.0002
Onchocerca volvulus		0.0038	0.0242	0.1654
Onchocerca volvulus		0.0039	0.0248	0.1696
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0031	0.0159	0.0385
Toxoplasma gondii	PAN domain-containing protein	0.002	0.0027	0.0002
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0026	0.024
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0242	0.0903
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0159	0.1175
Onchocerca volvulus	Huntingtin homolog	0.0131	0.1332	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0012	0.0045
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.0248	0.1962
Toxoplasma gondii	PAN/Apple domain-containing protein	0.002	0.0027	0.0002
Loa Loa (eye worm)	trypsin family protein	0.0039	0.0248	0.0856
Leishmania major	hypothetical protein, conserved	0.0038	0.0242	0.1913
Toxoplasma gondii	PAN domain-containing protein	0.0313	0.348	1
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0242	0.1447
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0242	0.0836
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0242	0.0903
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0039	0.0248	0.081
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.0248	0.1962
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.0248	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0586	0.2083
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0242	0.0836
Toxoplasma gondii	phosphofructokinase PFKII	0.0031	0.0159	0.0385
Loa Loa (eye worm)	PAN domain-containing protein	0.002	0.0027	0.0053
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.0248	0.1962
Loa Loa (eye worm)	6-phosphofructokinase	0.0116	0.1158	0.4159
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1332	0.4791
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0026	0.005
Toxoplasma gondii	hypothetical protein	0.002	0.0027	0.0002
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0053
Loa Loa (eye worm)	PAN domain-containing protein	0.002	0.0027	0.0053
Brugia malayi	PAN domain containing protein	0.002	0.0027	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0248	0.0856
Onchocerca volvulus		0.0039	0.0248	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0248	0.0856
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0088	0.0545
Echinococcus multilocularis	Mastin	0.0039	0.0248	0.0223
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0031	0.0159	1
Trichomonas vaginalis	esterase, putative	0.0038	0.0242	0.1913
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0417	0.1426
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0218	0.0748
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.0248	0.1962
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0116	0.1158	1
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0031	0.0159	0.1175
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0242	0.201
Schistosoma mansoni	6-phosphofructokinase	0.0116	0.1158	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0088	0.0225
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0242	0.079
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0242	0.0903
Mycobacterium ulcerans	6-phosphofructokinase	0.0116	0.1158	1
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.0159	0.2556
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0068	0.0586	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0088	0.0545
Entamoeba histolytica	phosphofructokinase, putative	0.0116	0.1158	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0116	0.1158	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0218	0.1699
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0039	0.0248	0.1962
Brugia malayi	PAN domain containing protein	0.002	0.0027	0.0003
Schistosoma mansoni	6-phosphofructokinase	0.0116	0.1158	1
Entamoeba histolytica	phosphofructokinase, putative	0.0116	0.1158	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0088	0.0545
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0088	0.0225
Brugia malayi	hypothetical protein	0.0039	0.0248	0.081
Echinococcus multilocularis	6 phosphofructokinase	0.0116	0.1158	0.1135
Toxoplasma gondii	microneme protein MIC4	0.002	0.0027	0.0002
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0088	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0088	0.0274
Trichomonas vaginalis	phosphofructokinase, putative	0.0116	0.1158	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0116	0.1158	1
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1332	0.4791
Onchocerca volvulus		0.0038	0.0242	0.1654
Toxoplasma gondii	microneme protein MIC17B	0.002	0.0027	0.0002
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0242	0.1913
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0242	0.1913
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.0159	0.2556
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0088	0.0659
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0031	0.0159	0.1175
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0248	0.0856
Schistosoma mansoni	hypothetical protein	0.0039	0.0248	0.1962
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0088	0.0659
Onchocerca volvulus	Huntingtin homolog	0.0131	0.1332	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Loa Loa (eye worm)	PAN domain-containing protein	0.002	0.0027	0.0053
Brugia malayi	phosphofructokinase	0.0116	0.1158	0.413
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0248	0.0856
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0039	0.0248	0.0223
Brugia malayi	beta-lactamase family protein	0.0038	0.0242	0.079
Brugia malayi	Trypsin family protein	0.0039	0.0248	0.081
Brugia malayi	Kringle domain containing protein	0.0068	0.0586	0.2044
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0242	0.0903
Toxoplasma gondii	subtilisin SUB12	0.002	0.0027	0.0002
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0248	0.2058
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0242	0.1913
Brugia malayi	PAN domain containing protein	0.002	0.0027	0.0003
Brugia malayi	Protein kinase domain containing protein	0.0068	0.0586	0.2044
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0159	0.1175
Plasmodium falciparum	cysteine repeat modular protein 1	0.0068	0.0586	1
Toxoplasma gondii	1,3(4)-beta-glucanase	0.002	0.0027	0.0002
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0088	0.0659
Brugia malayi	PAN domain containing protein	0.002	0.0027	0.0003
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0242	0.1913
Leishmania major	ATP-dependent phosphofructokinase	0.0116	0.1158	1
Toxoplasma gondii	PAN domain-containing protein	0.002	0.0027	0.0002
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0053
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0116	0.1158	0.4311
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0026	0.024
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0242	0.0836
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0242	0.1913
Trypanosoma cruzi	hypothetical protein, conserved	0.0068	0.0586	0.4949
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0088	0.0274
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Echinococcus granulosus	Mastin	0.0039	0.0248	0.081
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0088	0.0545
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0026	0.012
Toxoplasma gondii	6-phosphofructokinase	0.0031	0.0159	0.0385
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0116	0.1158	1
Echinococcus multilocularis	enteropeptidase	0.0039	0.0248	0.0223
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0242	0.0217
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0031	0.0159	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0159	0.1175
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0039	0.0248	0.081
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0417	0.1469
Brugia malayi	Trypsin family protein	0.0039	0.0248	0.081
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0053
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0242	0.201
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.0159	0.2556
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0417	0.1469
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0242	0.1913
Onchocerca volvulus		0.0039	0.0248	0.1696
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0396	0.3274
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0088	0.0659
Echinococcus granulosus	6 phosphofructokinase	0.0116	0.1158	0.413
Onchocerca volvulus		0.0039	0.0248	0.1696
Brugia malayi	beta-lactamase family protein	0.0038	0.0242	0.079
Brugia malayi	PAN domain containing protein	0.002	0.0027	0.0003
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Loa Loa (eye worm)	hypothetical protein	0.0253	0.2767	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0116	0.1158	0.4159
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0242	0.0836
Echinococcus granulosus	enteropeptidase	0.0039	0.0248	0.081
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0242	0.0903
Schistosoma mansoni	hypothetical protein	0.0052	0.0396	0.3274
Echinococcus multilocularis	glycoprotein Antigen 5	0.0039	0.0248	0.0223
Onchocerca volvulus		0.0068	0.0586	0.4286
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0417	0.1426
Brugia malayi	PAN domain containing protein	0.002	0.0027	0.0003
Brugia malayi	PAN domain containing protein	0.002	0.0027	0.0003
Loa Loa (eye worm)	PAN domain-containing protein	0.002	0.0027	0.0053
Toxoplasma gondii	PAN domain-containing protein	0.0313	0.348	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.0248	0.1962
Brugia malayi	PAN domain containing protein	0.002	0.0027	0.0003
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0218	0.0702
Brugia malayi	PAN domain containing protein	0.002	0.0027	0.0003
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0242	0.201
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0242	0.1913
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0242	0.0836
Brugia malayi	hypothetical protein	0.0253	0.2767	1
Onchocerca volvulus		0.0039	0.0248	0.1696
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0246	0.2686	1
Toxoplasma gondii	PAN domain-containing protein	0.002	0.0027	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0242	0.0836
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0396	0.1352
Onchocerca volvulus		0.0038	0.0242	0.1654
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0026	0.0097
Echinococcus multilocularis	transmembrane protease serine 3	0.0039	0.0248	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0248	0.0856
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Entamoeba histolytica	phosphofructokinase, putative	0.0116	0.1158	1
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0031	0.0159	0.1175
Loa Loa (eye worm)	hypothetical protein	0.002	0.0027	0.0053
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0242	0.1447
Brugia malayi	PAN domain containing protein	0.002	0.0027	0.0003
Toxoplasma gondii	microneme protein MIC17C	0.002	0.0027	0.0002
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0088	0.0545
Echinococcus multilocularis	tissue type plasminogen activator	0.0068	0.0586	0.0562
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0242	0.1913
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.0248	0.1962
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0088	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0242	0.0836
Leishmania major	hypothetical protein, conserved	0.0068	0.0586	0.4949
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0242	0.4013
Brugia malayi	6-phosphofructokinase	0.0116	0.1158	0.413
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0088	0.0545
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0039	0.0248	0.081
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.0248	0.1962
Echinococcus granulosus	survival motor neuron protein 1	0.0253	0.2767	1
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.0159	0.2556
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0242	0.0836
Toxoplasma gondii	ABC1 family protein	0.0038	0.0242	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0248	0.0856
Loa Loa (eye worm)	TK/ROR protein kinase	0.0068	0.0586	0.2083
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0116	0.1158	1
Onchocerca volvulus		0.0039	0.0248	0.1696
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.0248	0.1962
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0242	0.1913
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0159	0.1175
Mycobacterium ulcerans	lipase LipD	0.0038	0.0242	0.201
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.0159	0.1175
Brugia malayi	Trypsin family protein	0.0039	0.0248	0.081
Toxoplasma gondii	hypothetical protein	0.002	0.0027	0.0002
Brugia malayi	6-phosphofructokinase	0.0116	0.1158	0.413
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0242	0.079
Toxoplasma gondii	kringle domain-containing protein	0.0068	0.0586	0.1622
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0242	0.0903
Brugia malayi	beta-lactamase	0.0038	0.0242	0.079
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0242	0.0903
Toxoplasma gondii	microneme protein MIC17A	0.002	0.0027	0.0002
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0088	0.0659
Loa Loa (eye worm)	phosphofructokinase	0.0116	0.1158	0.4159
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0242	0.201
Onchocerca volvulus		0.0052	0.0396	0.2833
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0242	0.0903
Echinococcus multilocularis	survival motor neuron protein 1	0.0253	0.2767	0.2748

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 7 %	Activity at PXR at 10 uM relative to rifampicin	ChEMBL.	24900239
IC50 (binding)	> 30 uM	Displacement of [3S]MK499 from human ERG in HEK293 cells	ChEMBL.	24900239

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL2151145

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1720960