TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 553.575 | Formula: C29H30F3N5O3
H donors: 3 H acceptors: 4 LogP: 2.31 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.O=C(c1ccc2c(c1)cccc2)Nc1cccc(c1)CN1CCCN(CC1)Cc1[nH]ccn1
InChi: 1S/C27H29N5O.C2HF3O2/c33-27(24-10-9-22-6-1-2-7-23(22)18-24)30-25-8-3-5-21(17-25)19-31-13-4-14-32(16-15-31)20-26-28-11-12-29-26;3-2(4,5)1(6)7/h1-3,5-12,17-18H,4,13-16,19-20H2,(H,28,29)(H,30,33);(H,6,7)
InChiKey: WQCDFBAGZBDSEX-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
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0152	0.4538	0.4496
Echinococcus multilocularis	MAM	0.0016	0.0307	0.0285
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0152	0.4538	0.4526
Brugia malayi	Protein kinase domain containing protein	0.0016	0.0307	0.0265
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.012	0.0098
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0036	0.0919	0.2057
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.012	0.0098
Trichomonas vaginalis	glutaminase, putative	0.029	0.8858	1
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0945	0.0874
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0036	0.0919	0.0899
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0752	0.0731
Trypanosoma cruzi	DNA polymerase eta, putative	0.023	0.699	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.012	0.0098
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.012	0.0098
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0054	0.1472	0.3625
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0708	0.0635
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0271	0.0195
Trypanosoma brucei	DNA polymerase kappa, putative	0.0073	0.2091	0.2791
Leishmania major	trypanothione reductase	0.0037	0.0945	0.1105
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0078	0.0056
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.0961	0.0941
Echinococcus granulosus	sodium and chloride dependent glycine	0.0036	0.0919	0.0899
Schistosoma mansoni	thyroid hormone receptor	0.001	0.012	0.0098
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.012	0.0098
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0499	0.0865
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0752	0.1581
Brugia malayi	ImpB/MucB/SamB family protein	0.023	0.699	0.7874
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.012	0.0052
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0024	0.054	0.0509
Trypanosoma brucei	DNA polymerase IV, putative	0.0178	0.5362	0.7604
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.012	0.0052
Schistosoma mansoni	sodium/chloride dependent transporter	0.0036	0.0919	0.0899
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0307	0.0231
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0571	0.0554
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0237	0.7217	0.7211
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0752	0.0679
Schistosoma mansoni	thyroid hormone receptor	0.001	0.012	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0919	0.0848
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.012	0.0052
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.012	0.0098
Mycobacterium ulcerans	DNA polymerase IV	0.0178	0.5362	0.5965
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0043
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0327	1	1
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0024	0.054	0.1139
Leishmania major	DNA polymerase kappa, putative	0.0047	0.1268	0.158
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0237	0.7217	0.7211
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0571	0.0642
Trypanosoma cruzi	DNA polymerase eta, putative	0.0126	0.3719	0.5187
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0036	0.0919	0.0848
Schistosoma mansoni	coup transcription factor	0.001	0.012	0.0098
Plasmodium falciparum	amino acid transporter, putative	0.0036	0.0919	0.6756
Loa Loa (eye worm)	glutaminase 2	0.029	0.8858	0.8849
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0571	0.0642
Leishmania major	hypothetical protein, conserved	0.0207	0.6262	0.8928
Schistosoma mansoni	DNA polymerase IV / kappa	0.0047	0.1268	0.1248
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.012	0.0052
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0126	0.3719	1
Mycobacterium tuberculosis	Conserved protein	0.0024	0.054	0.1139
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.012	0.0098
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0752	0.0731
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0152	0.4538	0.9569
Echinococcus granulosus	sodium and chloride dependent glycine	0.0036	0.0919	0.0899
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.012	0.0052
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.012	0.0052
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0152	0.4538	0.4526
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0571	0.0554
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.012	0.0052
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.012	0.0043
Brugia malayi	nuclear hormone receptor	0.001	0.012	0.0052
Loa Loa (eye worm)	glutaminase	0.029	0.8858	0.8849
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0078	0.0056
Onchocerca volvulus		0.0016	0.0307	0.2336
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.012	0.0098
Trypanosoma brucei	DNA damage repair protein, putative	0.0047	0.1268	0.158
Trypanosoma brucei	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0237	0.7217	0.7211
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0036	0.0919	0.0962
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0036	0.0919	0.0848
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0013	0.0194	0.0172
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.012	0.0098
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0013	0.0194	0.0136
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0036	0.0919	0.2057
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.012	0.0052
Onchocerca volvulus		0.0036	0.0919	1
Onchocerca volvulus		0.0015	0.0271	0.1887
Trichomonas vaginalis	ran, putative	0.0023	0.0499	0.0561
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0499	0.0449
Trypanosoma brucei	DNA polymerase kappa, putative	0.0073	0.2091	0.2791
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0111	0.3271	0.4527
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.012	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0919	0.0848
Brugia malayi	glutathione reductase	0.0037	0.0945	0.0992
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0036	0.0919	0.0899
Trypanosoma brucei	chrX additional, unordered contigs	0.0047	0.1268	0.158
Trypanosoma brucei	DNA polymerase kappa, putative	0.0111	0.3271	0.4527
Trypanosoma cruzi	DNA damage repair protein, putative	0.0047	0.1268	0.158
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0007	0.0027	0.0004
Trichomonas vaginalis	mercuric reductase, putative	0.0013	0.0194	0.0216
Schistosoma mansoni	cpg binding protein	0.0031	0.076	0.0739
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.0024	0.054	0.04
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.2418	0.5099
Brugia malayi	glutaminase DH11.1	0.029	0.8858	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.012	0.0098
Schistosoma mansoni	nuclear hormone receptor	0.001	0.012	0.0098
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0043
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.1268	0.158
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0093	0.2711	0.5716
Onchocerca volvulus		0.0036	0.0919	1
Entamoeba histolytica	hypothetical protein	0.0025	0.0571	0.0177
Trypanosoma brucei	DNA polymerase kappa, putative	0.0111	0.3271	0.4527
Schistosoma mansoni	ran	0.0023	0.0499	0.0478
Echinococcus granulosus	cpg binding protein	0.0031	0.076	0.0739
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0024	0.054	0.0607
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0043
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0036	0.0919	0.0899
Echinococcus multilocularis	dna polymerase kappa	0.0178	0.5362	0.5352
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0152	0.4538	0.4526
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0919	0.0848
Plasmodium vivax	amine transporter, putative	0.0036	0.0919	0.6756
Schistosoma mansoni	DNA polymerase eta	0.023	0.699	0.6984
Brugia malayi	ecdysteroid receptor	0.001	0.012	0.0052
Onchocerca volvulus		0.0029	0.0708	0.7354
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.2418	0.5099
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0752	0.5192
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0036	0.0919	0.0962
Loa Loa (eye worm)	hypothetical protein	0.0237	0.7217	0.7195
Trypanosoma cruzi	hypothetical protein, conserved	0.0207	0.6262	0.8928
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.012	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2091	0.2029
Loa Loa (eye worm)	norepinephrine transporter	0.0036	0.0919	0.0848
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0499	0.0671
Trypanosoma brucei	DNA polymerase kappa, putative	0.0158	0.4743	0.6693
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.012	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0036	0.0919	0.0899
Mycobacterium ulcerans	hypothetical protein	0.0024	0.054	0.04
Trypanosoma brucei	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Schistosoma mansoni	cpg binding protein	0.0031	0.076	0.0739
Onchocerca volvulus		0.0036	0.0919	1
Onchocerca volvulus		0.0016	0.0307	0.2336
Loa Loa (eye worm)	hypothetical protein	0.023	0.699	0.6967
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0013	0.0194	0.0172
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.012	0.0098
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0024	0.054	0.04
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0919	0.0848
Trypanosoma brucei	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Leishmania major	DNA polymerase eta, putative	0.023	0.699	1
Leishmania major	DNA polymerase kappa, putative	0.0158	0.4743	0.6693
Mycobacterium tuberculosis	Probable oxidoreductase	0.0093	0.2711	0.5716
Leishmania major	GTP-binding protein, putative	0.0023	0.0499	0.0449
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.012	0.0098
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Loa Loa (eye worm)	TK/ALK protein kinase	0.0016	0.0307	0.0231
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0024	0.054	0.0519
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0945	0.6998
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0945	0.0874
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0752	0.082
Trypanosoma brucei	DNA polymerase eta, putative	0.023	0.699	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0919	0.6756
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0945	0.6998
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0013	0.0194	0.0409
Brugia malayi	ImpB/MucB/SamB family protein	0.0152	0.4538	0.5082
Trypanosoma brucei	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Echinococcus granulosus	MAM	0.0016	0.0307	0.0285
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.012	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0271	0.0195
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0036	0.0919	0.0899
Brugia malayi	hypothetical protein	0.0016	0.0307	0.0265
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Loa Loa (eye worm)	hypothetical protein	0.0152	0.4541	0.4498
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0919	0.0848
Onchocerca volvulus		0.0015	0.0271	0.1887
Trypanosoma brucei	hypothetical protein, conserved	0.0047	0.1268	0.158
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0036	0.0919	0.0899
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.1731	0.1712
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0919	0.0848
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.012	0.0098
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0036	0.0919	0.0899
Echinococcus multilocularis	snurportin 1	0.0327	1	1
Toxoplasma gondii	hypothetical protein	0.0036	0.0919	0.2057
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0158	0.4743	0.6693
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0036	0.0919	0.0899
Trypanosoma brucei	hypothetical protein, conserved	0.0047	0.1268	0.158
Onchocerca volvulus		0.0015	0.0271	0.1887
Brugia malayi	Importin beta-1 subunit	0.0031	0.0752	0.0771
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0499	0.2842
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0499	0.0449
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Leishmania major	DNA polymerase eta, putative	0.0126	0.3719	0.5187
Loa Loa (eye worm)	DOMON domain-containing protein	0.0015	0.0271	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0919	0.0848
Schistosoma mansoni	importin beta-1	0.0031	0.0752	0.0731
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.2418	0.5099
Brugia malayi	SEA domain containing protein	0.0015	0.0271	0.0224
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0152	0.4538	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.012	0.0098
Trypanosoma brucei	unspecified product	0.0172	0.5158	0.7303
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.0024	0.054	0.04
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.2418	0.5099
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0013	0.0194	0.0172
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.012	0.0098
Schistosoma mansoni	hypothetical protein	0.0016	0.0307	0.0285
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0499	0.0449
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.012	0.0052
Giardia lamblia	DNA damage repair protein	0.0047	0.1268	0.236
Onchocerca volvulus		0.0036	0.0919	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.1524	0.3773
Loa Loa (eye worm)	serotonin transporter b	0.0036	0.0919	0.0848
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0945	0.2131
Trypanosoma brucei	unspecified product	0.0105	0.3066	0.4226
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.012	0.0043
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0009	0.0088	0.0016
Onchocerca volvulus		0.0015	0.0271	0.1887
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0036	0.0919	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0499	0.0425
Mycobacterium ulcerans	glutaminase	0.029	0.8858	1
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0945	0.6998
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0571	0.0642
Schistosoma mansoni	hypothetical protein	0.0016	0.0307	0.0285
Mycobacterium tuberculosis	Probable reductase	0.0084	0.2418	0.5099
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.012	0.0043
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0158	0.4743	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.012	0.0052
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0009	0.0088	0.0016
Trichomonas vaginalis	glutathione reductase, putative	0.0013	0.0194	0.0216
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.012	0.0052
Toxoplasma gondii	hypothetical protein	0.0036	0.0919	0.2057
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0708	0.0721
Plasmodium falciparum	glutathione reductase	0.0037	0.0945	0.6998
Brugia malayi	Muscleblind-like protein	0.0152	0.4541	0.5085
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.012	0.0043
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.012	0.0098
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0036	0.0919	0.2057
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.012	0.0098
Echinococcus granulosus	serotonin transporter	0.0036	0.0919	0.0899
Echinococcus multilocularis	muscleblind protein	0.0152	0.4541	0.4529
Treponema pallidum	sodium- and chloride- dependent transporter	0.0036	0.0919	1
Schistosoma mansoni	hypothetical protein	0.0327	1	1
Leishmania major	DNA damage repair protein, putative	0.0047	0.1268	0.158
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.012	0.0098
Trypanosoma brucei	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Trypanosoma brucei	DNA polymerase IV, putative	0.0172	0.5158	0.7303
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0036	0.0919	0.0899
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0013	0.0194	0.5
Trypanosoma brucei	DNA damage repair protein, putative	0.0047	0.1268	0.158
Trypanosoma brucei	hypothetical protein, conserved	0.0207	0.6262	0.8928
Echinococcus granulosus	dna polymerase eta	0.023	0.699	0.6984
Brugia malayi	steroid hormone receptor	0.001	0.012	0.0052
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.012	0.0098
Onchocerca volvulus		0.0015	0.0271	0.1887
Trypanosoma brucei	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Plasmodium falciparum	importin beta, putative	0.0031	0.0752	0.5192
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.012	0.0052
Brugia malayi	Thioredoxin reductase	0.0037	0.0945	0.0992
Brugia malayi	hypothetical protein	0.0036	0.0919	0.0962
Trypanosoma cruzi	DNA damage repair protein, putative	0.0047	0.1268	0.158
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0237	0.7217	0.7211
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0043
Mycobacterium ulcerans	DNA polymerase IV	0.0178	0.5362	0.5965
Loa Loa (eye worm)	hypothetical protein	0.0237	0.7217	0.7195
Plasmodium falciparum	transporter, putative	0.0036	0.0919	0.6756
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.2418	0.5099
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0093	0.2711	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0499	0.0478
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.1268	0.158
Echinococcus multilocularis	serotonin transporter	0.0036	0.0919	0.0899
Schistosoma mansoni	hypothetical protein	0.0015	0.0271	0.0249
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0499	0.0478
Trypanosoma brucei	DNA polymerase IV, putative	0.0178	0.5362	0.7604
Trypanosoma brucei	trypanothione reductase	0.0037	0.0945	0.1105
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.012	0.0052
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.012	0.0098
Trypanosoma brucei	unspecified product	0.0105	0.3066	0.4226
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0036	0.0919	0.0848
Schistosoma mansoni	sodium/chloride dependent transporter	0.0036	0.0919	0.0899
Plasmodium vivax	DNA repair protein REV1, putative	0.0047	0.1268	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.012	0.0052
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0013	0.0194	0.5
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0036	0.0919	0.0899
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0499	0.2842
Giardia lamblia	DINP protein human, muc B family	0.0158	0.4743	1
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.012	0.0098
Plasmodium falciparum	DNA repair protein REV1, putative	0.0047	0.1268	1
Brugia malayi	Muscle positioning protein 4	0.0015	0.0271	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0307	0.0231
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0237	0.7217	0.7211
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0036	0.0919	0.0962
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0036	0.0919	0.0899
Trypanosoma cruzi	hypothetical protein, conserved	0.0207	0.6262	0.8928
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.012	0.0052
Mycobacterium ulcerans	hypothetical protein	0.0047	0.1268	0.1239
Schistosoma mansoni	ran	0.0023	0.0499	0.0478
Echinococcus granulosus	FTZ F1 alpha	0.001	0.012	0.0098
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0152	0.4538	0.4526
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0043
Schistosoma mansoni	sodium/chloride dependent transporter	0.0036	0.0919	0.0899
Echinococcus granulosus	citrate lyase subunit beta protein	0.0024	0.054	0.0519
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0036	0.0919	0.0962
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.012	0.0098
Echinococcus multilocularis	muscleblind protein 1	0.0152	0.4541	0.4529
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0752	0.082
Loa Loa (eye worm)	hypothetical protein	0.0152	0.4541	0.4498
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0178	0.5362	0.6052
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0036	0.0919	0.0899
Echinococcus granulosus	dna polymerase kappa	0.0178	0.5362	0.5352
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0036	0.0919	0.0899
Echinococcus granulosus	muscleblind protein	0.0152	0.4541	0.4529
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0945	0.1993
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0093	0.2711	0.5716
Trichomonas vaginalis	DNA polymerase eta, putative	0.0178	0.5362	0.6052
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0036	0.0919	0.0899
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.012	0.0043
Schistosoma mansoni	cpg binding protein	0.0029	0.0708	0.0687
Echinococcus multilocularis	cpg binding protein	0.0031	0.076	0.0739
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0307	0.0231
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0024	0.054	0.0509
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.0961	0.0941
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0024	0.054	0.0509
Echinococcus multilocularis	dna polymerase eta	0.023	0.699	0.6984
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0043
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.012	0.0098
Brugia malayi	RNA, U transporter 1	0.0087	0.2514	0.2777
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0036	0.0919	0.0962
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0499	0.0484
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.012	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Trypanosoma brucei	DNA polymerase kappa, putative	0.0178	0.5362	0.7604
Brugia malayi	polk-prov protein	0.0073	0.2091	0.2296
Mycobacterium ulcerans	hypothetical protein	0.0024	0.054	0.04
Brugia malayi	nuclear receptor NHR-88	0.001	0.012	0.0052
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.012	0.0098
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0047	0.1268	0.3045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.012	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0919	0.0848
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0945	0.1105
Schistosoma mansoni	glutaminase	0.029	0.8858	0.8855

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= -3.48 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= -2.43 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 1.4 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 2 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 13 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 100 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 1.38	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -1 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 2 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 13 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 100 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.2	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.63202 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL546819
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 593938