TDR Targets

Basic information

Technical information

TDR Targets ID: 1444396
Name: 4-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidi n-4-yl]oxybenzonitrile
MW: 342.275 | Formula: C17H9F3N4O
H donors: 0 H acceptors: 4 LogP: 3.33 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc(cc1)Oc1cc(nc(n1)c1ccccn1)C(F)(F)F
InChi: 1S/C17H9F3N4O/c18-17(19,20)14-9-15(25-12-6-4-11(10-21)5-7-12)24-16(23-14)13-3-1-2-8-22-13/h1-9H
InChiKey: YZUJNNMUOIKPGI-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

4-[2-(2-pyridyl)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
4-[[2-(2-pyridyl)-6-(trifluoromethyl)-4-pyrimidinyl]oxy]benzonitrile
4-{[2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
MLS000543252
SMR000169221
5E-306S
ZINC01391098

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Rattus norvegicus	Inositol monophosphatase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma brucei gambiense	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	hypothetical protein	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Inositol-1	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium ulcerans	extragenic suppressor protein SuhB	Get druggable targets OG5_126810	All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma japonicum	ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus granulosus	inositol monophosphatase 1	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	inositol monophosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania mexicana	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	myo inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus multilocularis	inositol monophosphatase 1	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania braziliensis	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trichomonas vaginalis	inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trichomonas vaginalis	myo inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Entamoeba histolytica	myo-inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania infantum	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma congolense	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	inositol monophosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Loa Loa (eye worm)	inositol-1	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania donovani	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trichomonas vaginalis	myo inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	276 aa	21.4 %
Dictyostelium discoideum	3',5'-bisphosphate nucleotidase 1	Inositol monophosphatase 1	277 aa	275 aa	22.2 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	306 aa	22.5 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Trichomonas vaginalis	diphosphonucleoside phosphohydrolase, putative	Inositol monophosphatase 1	277 aa	263 aa	21.7 %
Trypanosoma brucei	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	304 aa	27.3 %
Brugia malayi	Inositol monophosphatase family protein	Inositol monophosphatase 1	277 aa	238 aa	21.8 %
Dictyostelium discoideum	3',5'-bisphosphate nucleotidase	Inositol monophosphatase 1	277 aa	230 aa	25.2 %
Schistosoma japonicum	ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative	Inositol monophosphatase 1	277 aa	275 aa	21.5 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	300 aa	22.0 %
Trypanosoma cruzi	myo-inositol-1 phosphatase, putative	Inositol monophosphatase 1	277 aa	284 aa	30.6 %
Onchocerca volvulus	Putative 28S ribosomal protein S10, mitochondrial	Inositol monophosphatase 1	277 aa	271 aa	46.1 %
Trypanosoma brucei gambiense	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	309 aa	27.8 %
Entamoeba histolytica	3(2),5-bisphosphate nucleotidase, putative	Inositol monophosphatase 1	277 aa	287 aa	22.3 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	307 aa	22.5 %
Schistosoma mansoni	pap-inositol-14-phosphatase	Inositol monophosphatase 1	277 aa	279 aa	22.9 %
Onchocerca volvulus		Inositol monophosphatase 1	277 aa	238 aa	22.7 %
Trichomonas vaginalis	inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	258 aa	21.7 %
Trypanosoma congolense	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	304 aa	28.9 %
Entamoeba histolytica	3(2),5-bisphosphate nucleotidase, putative	Inositol monophosphatase 1	277 aa	263 aa	24.0 %
Trichomonas vaginalis	inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	268 aa	22.4 %
Trypanosoma cruzi	inositol polyphosphate 1-phosphatase, putative	Inositol monophosphatase 1	277 aa	291 aa	23.7 %
Loa Loa (eye worm)	hypothetical protein	Inositol monophosphatase 1	277 aa	298 aa	23.8 %
Onchocerca volvulus	Putative trans-2-enoyl-CoA reductase 1, mitochondrial	Inositol monophosphatase 1	277 aa	278 aa	23.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	DNA polymerase eta, putative	0.002	0.0199	0.0209
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0102	0.0107
Loa Loa (eye worm)	hexokinase	0.0082	0.187	0.1965
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1045	0.1098
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1419	0.2542
Brugia malayi	glucose-6-phosphate dehydrogenase	0.0096	0.2247	0.2361
Echinococcus multilocularis	histone deacetylase 6	0.0048	0.0951	0.0951
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0472	0.0496
Brugia malayi	regulator of G-protein signaling rgs-7	0.002	0.0196	0.0205
Echinococcus multilocularis	hexokinase	0.0082	0.187	0.187
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0472	0.0846
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1045	0.1098
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0642	0.115
Echinococcus multilocularis	traf and tnf receptor associated protein	0.0184	0.4582	0.4582
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0045	0.086	0.4597
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0102	0.0107
Echinococcus multilocularis	Regulator of G protein signaling 20	0.002	0.0196	0.0196
Brugia malayi	PXA domain containing protein	0.002	0.0196	0.0205
Loa Loa (eye worm)	RGS-3 protein	0.002	0.0196	0.0205
Schistosoma mansoni	histone deacetylase 4 5	0.0042	0.078	0.1398
Trypanosoma cruzi	hexokinase, putative	0.0082	0.187	0.1965
Trypanosoma brucei	hexokinase	0.0082	0.187	0.1965
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0045	0.086	0.3471
Schistosoma mansoni	z-protein (S1r protein)	0.002	0.0196	0.035
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0608	0.0639
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.1765	0.3163
Onchocerca volvulus	Hexokinase homolog	0.0052	0.1048	0.1657
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1045	0.1098
Echinococcus granulosus	histone deacetylase	0.0042	0.078	0.078
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.002	0.0196	0.0205
Loa Loa (eye worm)	hypothetical protein	0.002	0.0196	0.0205
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.0096	0.2247	0.2361
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.1419	0.1491
Echinococcus multilocularis	hexokinase type 2	0.0082	0.187	0.187
Loa Loa (eye worm)	hypothetical protein	0.002	0.0196	0.0205
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1145	0.1145
Plasmodium vivax	hexokinase, putative	0.0082	0.187	0.7551
Trypanosoma brucei	histone deacetylase 4	0.0042	0.078	0.0819
Brugia malayi	MH2 domain containing protein	0.0123	0.297	0.3121
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1419	0.2542
Brugia malayi	Histone deacetylase family protein	0.0042	0.078	0.0819
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0196	0.035
Onchocerca volvulus		0.0052	0.1048	0.1657
Trypanosoma brucei	unspecified product	0.0014	0.0033	0.0035
Schistosoma mansoni	axis inhibition protein axin	0.002	0.0196	0.035
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0199	0.0209
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0045	0.086	0.3471
Echinococcus multilocularis	regulator of G protein signaling	0.002	0.0196	0.0196
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0045	0.086	0.3226
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0102	0.0102
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0033	0.0035
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.1419	0.1491
Brugia malayi	jmjC domain containing protein	0.0036	0.0642	0.0674
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0368	0.9517	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.002	0.0196	0.0196
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0102	0.0102
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Loa Loa (eye worm)	hexokinase	0.0082	0.187	0.1965
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0102	0.0102
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0102	0.0102
Echinococcus granulosus	histone deacetylase 6	0.0042	0.078	0.078
Echinococcus granulosus	axis inhibition protein axin	0.002	0.0196	0.0196
Echinococcus granulosus	beta-adrenergic receptor kinase	0.002	0.0196	0.0196
Echinococcus multilocularis	hexokinase	0.0082	0.187	0.187
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.002	0.0199	0.0804
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.002	0.0196	0.035
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1419	0.2542
Brugia malayi	A-kinase anchor protein 10, precursor	0.002	0.0196	0.0205
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1145	0.1203
Loa Loa (eye worm)	hypothetical protein	0.003	0.0472	0.0496
Echinococcus multilocularis	geminin	0.0175	0.4357	0.4357
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.0096	0.2247	0.2247
Echinococcus granulosus	geminin	0.0175	0.4357	0.4357
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0102	0.0107
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0096	0.2247	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.004	0.0734	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.002	0.0196	0.0205
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0199	0.0357
Giardia lamblia	PHD finger protein 15	0.003	0.0472	0.1906
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0196	0.079
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0199	0.0209
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0199	0.0209
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0472	0.0472
Leishmania major	C-8 sterol isomerase-like protein	0.0368	0.9517	1
Giardia lamblia	DINP protein human, muc B family	0.002	0.0199	0.0804
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Echinococcus granulosus	hexokinase	0.0082	0.187	0.187
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1419	0.2542
Schistosoma mansoni	hypothetical protein	0.003	0.0472	0.0846
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0033	0.056	0.7247
Loa Loa (eye worm)	hypothetical protein	0.002	0.0196	0.0205
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0184	0.4582	0.4815
Echinococcus granulosus	traf and tnf receptor associated protein	0.0184	0.4582	0.4582
Brugia malayi	hypothetical protein	0.002	0.0196	0.0205
Echinococcus granulosus	inositol monophosphatase 1	0.0045	0.086	0.086
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0033	0.0035
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0196	0.035
Entamoeba histolytica	hexokinase 1	0.0082	0.187	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0642	0.0642
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.2309	0.2309
Echinococcus granulosus	histone deacetylase 6	0.0042	0.078	0.078
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0102	0.0107
Trypanosoma brucei	histone deacetylase, putative	0.0042	0.078	0.0819
Trypanosoma brucei	unspecified product	0.0014	0.0033	0.0035
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Onchocerca volvulus	Alhambra homolog	0.003	0.0472	0.0746
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.2309	0.2309
Loa Loa (eye worm)	inositol-1	0.0045	0.086	0.0903
Entamoeba histolytica	hexokinase 2	0.0082	0.187	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0363	0.0381
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.1419	0.1419
Brugia malayi	Hexokinase family protein	0.0082	0.187	0.1965
Brugia malayi	Histone deacetylase family protein	0.0042	0.078	0.0819
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0472	0.0472
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.086	0.0903
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.086	0.0903
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0472	0.1063
Schistosoma mansoni	histone deacetylase 4 5	0.0042	0.078	0.1398
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0102	0.0102
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0199	0.0209
Echinococcus granulosus	dna polymerase kappa	0.002	0.0199	0.0199
Echinococcus granulosus	regulator of G protein signaling 3	0.002	0.0196	0.0196
Schistosoma mansoni	hypothetical protein	0.0016	0.0102	0.0182
Trypanosoma brucei	histone deacetylase 3	0.0042	0.078	0.0819
Leishmania major	hexokinase, putative	0.0082	0.187	0.1965
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.002	0.0196	0.0196
Schistosoma mansoni	hypothetical protein	0.0016	0.0102	0.0182
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0102	0.0183
Echinococcus granulosus	Regulator of G protein signaling 20	0.002	0.0196	0.0196
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.0096	0.2247	0.2247
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1169	0.1228
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0102	0.0102
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.297	0.3121
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.1419	0.1491
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0045	0.086	0.1937
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.002	0.0196	0.0205
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.0096	0.2247	0.2361
Trypanosoma cruzi	histone deacetylase, putative	0.0042	0.078	0.0819
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.002	0.0196	0.035
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0102	0.0413
Trypanosoma brucei	hexokinase	0.0082	0.187	0.1965
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0105	0.2477	1
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0196	0.079
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0102	0.0102
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1045	0.1098
Loa Loa (eye worm)	hypothetical protein	0.002	0.0199	0.0209
Plasmodium vivax	histone deacetylase 2, putative	0.0042	0.078	0.3149
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0102	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0368	0.9517	1
Brugia malayi	hypothetical protein	0.0156	0.3849	0.4044
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0472	0.1906
Brugia malayi	RNA binding protein	0.0065	0.1419	0.1491
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0366	0.0385
Echinococcus granulosus	hexokinase type 2	0.0082	0.187	0.187
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0102	0.0107
Brugia malayi	jmjC domain containing protein	0.0099	0.2309	0.2426
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0221	0.558	0.558
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1145	0.1203
Brugia malayi	Inositol-1	0.0045	0.086	0.0903
Toxoplasma gondii	histone deacetylase HDAC1	0.0042	0.078	0.1757
Brugia malayi	hexokinase type II	0.0026	0.0366	0.0385
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0196	0.079
Schistosoma mansoni	hypothetical protein	0.0175	0.4357	0.7807
Brugia malayi	hypothetical protein	0.0026	0.0363	0.0381
Trichomonas vaginalis	inositol monophosphatase, putative	0.0045	0.086	0.3471
Loa Loa (eye worm)	hypothetical protein	0.0188	0.47	0.4939
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0363	0.1465
Leishmania major	hypothetical protein, conserved	0.0026	0.0363	0.0381
Echinococcus multilocularis	peregrin	0.003	0.0472	0.0472
Trypanosoma cruzi	hexokinase, putative	0.0082	0.187	0.1965
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0642	0.0642
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0102	0.0102
Echinococcus granulosus	peregrin	0.003	0.0472	0.0472
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0063	0.1351	0.5626
Brugia malayi	regulator of G-protein signaling egl-10	0.002	0.0196	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1049	0.1102
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0031	0.0496	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0616	0.0647
Loa Loa (eye worm)	hexokinase	0.0052	0.1048	0.1102
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.0199	0.1533
Loa Loa (eye worm)	histone deacetylase	0.0042	0.078	0.0819
Loa Loa (eye worm)	RNA binding protein	0.0065	0.1419	0.1491
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.002	0.0196	0.079
Trypanosoma brucei	unspecified product	0.002	0.0199	0.0209
Schistosoma mansoni	inositol monophosphatase	0.0045	0.086	0.1541
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0196	0.035
Brugia malayi	Hexokinase family protein	0.0052	0.1048	0.1102
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Loa Loa (eye worm)	hypothetical protein	0.002	0.0196	0.0205
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0.0199	0.0209
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1145	0.1145
Leishmania major	histone deacetylase, putative	0.0042	0.078	0.0819
Echinococcus multilocularis	histone deacetylase 7	0.0042	0.078	0.078
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0199	0.0357
Schistosoma mansoni	hypothetical protein	0.0035	0.0608	0.109
Echinococcus granulosus	tar DNA binding protein	0.0065	0.1419	0.1419
Echinococcus multilocularis	axis inhibition protein axin	0.002	0.0196	0.0196
Echinococcus multilocularis	regulator of G protein signaling 3	0.002	0.0196	0.0196
Echinococcus multilocularis	hexokinase	0.0082	0.187	0.187
Brugia malayi	Regulator of G protein signaling domain containing protein	0.002	0.0196	0.0205
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.0105	0.2477	1
Echinococcus multilocularis	histone deacetylase 6	0.0042	0.078	0.078
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0102	0.0413
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0102	0.023
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0363	0.1465
Trypanosoma cruzi	histone deacetylase, putative	0.0042	0.078	0.0819
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.086	0.0903
Schistosoma mansoni	vesicular acetylcholine transporter	0.0221	0.558	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.002	0.0199	0.1065
Loa Loa (eye worm)	hexokinase	0.0025	0.0347	0.0365
Echinococcus multilocularis	axis inhibition protein axin	0.002	0.0196	0.0196
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.0096	0.2247	1
Loa Loa (eye worm)	histone deacetylase 7A	0.0042	0.078	0.0819
Brugia malayi	hexokinase	0.0082	0.187	0.1965
Brugia malayi	hypothetical protein	0.0017	0.0115	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0102	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0363	0.0381
Onchocerca volvulus		0.0156	0.3849	0.6081
Plasmodium falciparum	histone deacetylase, putative	0.0042	0.078	0.3149
Brugia malayi	Pax transcription factor protein 2	0.0249	0.6329	0.665
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0363	0.0381
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0221	0.558	0.8817
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0445	0.0467
Trypanosoma brucei	hexokinase, putative	0.0082	0.187	0.1965
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0472	0.1063
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1145	0.1145
Echinococcus multilocularis	histone deacetylase 6	0.0042	0.078	0.078
Brugia malayi	PXA domain containing protein	0.002	0.0196	0.0205
Echinococcus multilocularis	histone deacetylase	0.0042	0.078	0.078
Schistosoma mansoni	DNA polymerase eta	0.002	0.0199	0.0357
Leishmania major	hexokinase, putative	0.0082	0.187	0.1965
Leishmania major	histone deacetylase, putative	0.0042	0.078	0.0819
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.1332	0.1399
Loa Loa (eye worm)	endonuclease/Exonuclease/phosphatase	0.0181	0.4509	0.4737
Onchocerca volvulus		0.0082	0.187	0.2955
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0105	0.2477	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1145	0.2051
Loa Loa (eye worm)	PXA domain-containing protein	0.002	0.0196	0.0205
Schistosoma mansoni	hypothetical protein	0.0016	0.0102	0.0182
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0045	0.086	0.5
Trypanosoma cruzi	histone deacetylase, putative	0.0042	0.078	0.0819
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0199	0.0199
Toxoplasma gondii	hexokinase	0.0082	0.187	0.4214
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.004	0.0734	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0096	0.2247	0.2361
Plasmodium vivax	histone deacetylase, putative	0.0042	0.078	0.3149
Schistosoma mansoni	axis inhibition protein axin	0.002	0.0196	0.035
Schistosoma mansoni	hexokinase	0.0082	0.187	0.3351
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0105	0.2477	0.558
Echinococcus multilocularis	inositol monophosphatase 1	0.0045	0.086	0.086
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1145	0.2051
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.0096	0.2247	0.4026
Echinococcus granulosus	vesicular acetylcholine transporter	0.0221	0.558	0.558
Brugia malayi	Hexokinase family protein	0.0025	0.0347	0.0365
Echinococcus granulosus	axis inhibition protein axin	0.002	0.0196	0.0196
Brugia malayi	Regulator of G protein signaling domain containing protein	0.002	0.0196	0.0205
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.086	0.0903
Loa Loa (eye worm)	hypothetical protein	0.002	0.0196	0.0205
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0368	0.9517	1
Brugia malayi	TAR-binding protein	0.0065	0.1419	0.1491
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0196	0.035
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0788	0.0788
Loa Loa (eye worm)	hypothetical protein	0.002	0.0196	0.0205
Echinococcus granulosus	hexokinase	0.0082	0.187	0.187
Loa Loa (eye worm)	hypothetical protein	0.0156	0.3849	0.4044
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Schistosoma mansoni	hypothetical protein	0.0175	0.4357	0.7807
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.002	0.0196	0.035
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0199	0.0209
Toxoplasma gondii	endonuclease/exonuclease/phosphatase family protein	0.0178	0.4439	1
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0199	0.0199
Entamoeba histolytica	hypothetical protein	0.002	0.0196	0.1046
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0063	0.1351	0.3044
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0105	0.2477	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1145	0.2051
Onchocerca volvulus		0.0249	0.6329	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1145	0.1145
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0196	0.035
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0102	0.0107
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.0096	0.2247	0.2361
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0196	0.035
Echinococcus multilocularis	regulator of G protein signaling 7	0.002	0.0196	0.0196
Echinococcus granulosus	hexokinase	0.0082	0.187	0.187
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0102	0.0107
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0221	0.558	0.5863
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.0096	0.2247	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0102	0.0107
Echinococcus granulosus	regulator of G protein signaling 7	0.002	0.0196	0.0196
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0105	0.2477	1
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0196	0.035
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0196	0.079
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0199	0.0199
Echinococcus granulosus	regulator of G protein signaling 3	0.002	0.0196	0.0196
Loa Loa (eye worm)	hexokinase type II	0.0082	0.187	0.1965
Plasmodium falciparum	histone deacetylase 2	0.0042	0.078	0.3149
Loa Loa (eye worm)	pax transcription factor protein 2	0.0249	0.6329	0.665
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0363	0.0381
Echinococcus multilocularis	regulator of G protein signaling 3	0.002	0.0196	0.0196
Echinococcus granulosus	GPCR family 2	0.0016	0.0102	0.0102
Brugia malayi	hypothetical protein	0.002	0.0196	0.0205
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.297	0.3121
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0102	0.0107
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.0199	0.0209
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0196	0.079
Plasmodium falciparum	phd finger protein, putative	0.003	0.0472	0.1906
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0102	0.0102
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0368	0.9517	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0199	0.1533
Echinococcus multilocularis	dna polymerase eta	0.002	0.0199	0.0199
Schistosoma mansoni	inositol monophosphatase	0.0045	0.086	0.1541
Echinococcus multilocularis	beta adrenergic receptor kinase	0.002	0.0196	0.0196
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0642	0.115
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0032	0.052	0.0547
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0196	0.035
Entamoeba histolytica	hypothetical protein	0.002	0.0196	0.1046
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0363	0.0817
Echinococcus multilocularis	expressed protein	0.0386	1	1
Onchocerca volvulus		0.0082	0.187	0.2955
Echinococcus granulosus	histone deacetylase 6	0.0048	0.0951	0.0951
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.002	0.0196	0.0205
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.1419	0.2542
Leishmania major	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0642	0.0674
Trypanosoma cruzi	DNA polymerase eta, putative	0.002	0.0199	0.0209
Entamoeba histolytica	hypothetical protein	0.002	0.0196	0.1046
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0102	0.0107
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0102	0.0102
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Onchocerca volvulus		0.0082	0.187	0.2955
Plasmodium falciparum	hexokinase	0.0082	0.187	0.7551
Brugia malayi	PHD-finger family protein	0.003	0.0472	0.0496
Echinococcus granulosus	regulator of G protein signaling 7	0.002	0.0196	0.0196
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0363	0.1465
Brugia malayi	Bromodomain containing protein	0.003	0.0472	0.0496
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0102	0.0102
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0221	0.558	0.5863
Schistosoma mansoni	histone deacetylase hda2	0.0048	0.0951	0.1704
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0033	0.0035
Trichomonas vaginalis	DNA polymerase eta, putative	0.002	0.0199	0.0804
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0788	0.0788
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0608	0.0639
Echinococcus granulosus	histone deacetylase 7	0.0042	0.078	0.078
Echinococcus granulosus	dna polymerase eta	0.002	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0366	0.0385
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0196	0.079
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0199	0.0209
Echinococcus multilocularis	regulator of G protein signaling 7	0.002	0.0196	0.0196
Schistosoma mansoni	hypothetical protein	0.0016	0.0102	0.0182
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0105	0.2477	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0199	0.0209
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0102	0.023

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.3981 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.8913 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)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	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: CHEMBL1599304

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1444396