TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 484.47 | Formula: C25H23F3N4O3
H donors: 2 H acceptors: 4 LogP: 4.18 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(F)(F)F.NC1=NC(C(=O)N1CCCc1ccccc1)(c1ccccc1)c1ccccn1
InChi: 1S/C23H22N4O.C2HF3O2/c24-22-26-23(19-13-5-2-6-14-19,20-15-7-8-16-25-20)21(28)27(22)17-9-12-18-10-3-1-4-11-18;3-2(4,5)1(6)7/h1-8,10-11,13-16H,9,12,17H2,(H2,24,26);(H,6,7)
InChiKey: BJSUQGVJVIMBNP-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
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.0377	0.5559
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0236	0.2576	0.6875
Onchocerca volvulus		0.0033	0.018	0.1017
Loa Loa (eye worm)	hypothetical protein	0.0037	0.023	0.0507
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0206	0.4882
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0046	0.9986
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.0377	0.1011
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0112	0.1153
Onchocerca volvulus		0.0033	0.018	0.1017
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0236	0.2576	0.6875
Schistosoma mansoni	tar DNA-binding protein	0.0334	0.3728	1
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0072	0.0643	1
Onchocerca volvulus	Huntingtin homolog	0.0134	0.1369	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0206	0.4882
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0033	0.018	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0112	0.3626
Loa Loa (eye worm)	hypothetical protein	0.0033	0.018	0.0372
Loa Loa (eye worm)	mbt repeat family protein	0.005	0.0388	0.0936
Echinococcus multilocularis	replication factor c subunit 1	0.0021	0.0046	0.0002
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0033	0.018	0.0372
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.005	0.0388	0.2586
Echinococcus granulosus	tar DNA binding protein	0.0334	0.3728	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0072	0.0643	1
Leishmania major	hypothetical protein, conserved	0.0027	0.0112	0.1153
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0216	0.2338	0.6229
Plasmodium falciparum	transporter, putative	0.0033	0.018	0.7309
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0357	0.0852
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0151	0.1571	0.4147
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0112	0.1153
Trypanosoma cruzi	FHA domain containing protein, putative	0.0021	0.0046	0.004
Schistosoma mansoni	hypothetical protein	0.0103	0.1009	0.2622
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1369	0.3599
Schistosoma mansoni	hypothetical protein	0.0048	0.0357	0.0852
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0216	0.2338	0.6229
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.0377	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1571	0.4147
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0057	0.047	0.1158
Echinococcus multilocularis	SAM and MBT domain containing protein	0.005	0.0388	0.0346
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0112	0.4961
Brugia malayi	RNA recognition motif domain containing protein	0.0334	0.3728	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0046	0.004
Onchocerca volvulus		0.0049	0.0377	0.2502
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0049	0.0377	1
Schistosoma mansoni	hypothetical protein	0.017	0.1796	0.4757
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0046	0.004
Plasmodium vivax	acyl-CoA synthetase, putative	0.0037	0.023	1
Schistosoma mansoni	DNA ligase IV	0.0021	0.0046	0.0007
Echinococcus granulosus	muscleblind protein	0.016	0.1675	0.4429
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0033	0.018	0.0372
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0046	0.9986
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0033	0.018	0.0372
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0049	0.0377	1
Onchocerca volvulus		0.005	0.0388	0.2586
Loa Loa (eye worm)	hypothetical protein	0.0037	0.023	0.0507
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.005	0.0388	0.0936
Brugia malayi	hypothetical protein	0.0033	0.018	0.0484
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0072	0.0643	0.1726
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0033	0.018	0.0138
Toxoplasma gondii	hypothetical protein	0.0033	0.018	1
Brugia malayi	topoisomerase	0.0021	0.0046	0.0122
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0049	0.0377	1
Echinococcus granulosus	GPCR family 2	0.0048	0.0357	0.0852
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.0377	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0206	0.4882
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0033	0.018	0.0372
Loa Loa (eye worm)	serotonin transporter b	0.0033	0.018	0.0372
Brugia malayi	mbt repeat family protein	0.005	0.0388	0.1041
Loa Loa (eye worm)	norepinephrine transporter	0.0033	0.018	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0216	0.2338	0.6229
Loa Loa (eye worm)	RNA binding protein	0.0334	0.3728	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0033	0.018	0.0372
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0236	0.2576	0.2544
Giardia lamblia	Replication factor C, subunit 1	0.0021	0.0046	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0388	0.0936
Loa Loa (eye worm)	TAR-binding protein	0.0334	0.3728	1
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0021	0.0046	0.004
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0033	0.018	0.0372
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0037	0.023	0.5593
Brugia malayi	hypothetical protein	0.0134	0.1369	0.3674
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0033	0.018	0.0372
Schistosoma mansoni	hypothetical protein	0.0306	0.3399	0.9107
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0033	0.018	0.0372
Onchocerca volvulus		0.0033	0.018	0.1017
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0033	0.018	0.0484
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0033	0.018	0.0484
Echinococcus granulosus	sodium and chloride dependent glycine	0.0033	0.018	0.0372
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0057	0.047	0.1158
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0033	0.018	0.0484
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0033	0.018	0.0138
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0033	0.018	0.0138
Schistosoma mansoni	tar DNA-binding protein	0.0334	0.3728	1
Entamoeba histolytica	hypothetical protein	0.0039	0.0258	0.357
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.0377	1
Echinococcus multilocularis	polycomb protein SCMH1	0.005	0.0388	0.0346
Echinococcus granulosus	geminin	0.017	0.1796	0.4757
Echinococcus multilocularis	transcription factor Dp 1	0.0042	0.0286	0.0244
Schistosoma mansoni	hypothetical protein	0.017	0.1796	0.4757
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.0377	1
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0046	0.9986
Echinococcus multilocularis	nibrin	0.0021	0.0046	0.0002
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0216	0.2338	0.2305
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0258	0.0215
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0357	0.0958
Entamoeba histolytica	hypothetical protein	0.0039	0.0258	0.357
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0388	0.0936
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0072	0.0643	1
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0388	0.0936
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0033	0.018	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0377	0.0906
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0046	0.9986
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0072	0.0643	0.1629
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0057	0.047	0.0429
Brugia malayi	hypothetical protein	0.0039	0.0258	0.0691
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0033	0.018	1
Brugia malayi	hypothetical protein	0.0021	0.0046	0.0122
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0216	0.2338	0.6229
Echinococcus granulosus	sodium and chloride dependent glycine	0.0033	0.018	0.0372
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0021	0.0046	0.004
Echinococcus multilocularis	geminin	0.017	0.1796	0.176
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0033	0.018	0.0484
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0357	0.0852
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0037	0.023	0.5593
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0043	0.0116
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.0377	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0033	0.018	0.0372
Schistosoma mansoni	hypothetical protein	0.0039	0.0258	0.0582
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0236	0.2576	0.6875
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0021	0.0046	0.9986
Brugia malayi	Pax transcription activation domain interacting protein	0.0021	0.0046	0.0122
Echinococcus multilocularis	tar DNA binding protein	0.0334	0.3728	0.3701
Loa Loa (eye worm)	hypothetical protein	0.0033	0.018	0.0372
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0021	0.0046	0.0072
Schistosoma mansoni	hypothetical protein	0.0048	0.0357	0.0852
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0236	0.2576	0.6875
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0033	0.018	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0357	0.0852
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0049	0.0377	1
Entamoeba histolytica	hypothetical protein	0.0039	0.0258	0.357
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0199	0.2131	0.5667
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0021	0.0046	0.0122
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0112	0.3626
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1369	0.3599
Echinococcus granulosus	histone acetyltransferase MYST2	0.0057	0.047	0.1158
Schistosoma mansoni	sodium/chloride dependent transporter	0.0033	0.018	0.0372
Echinococcus granulosus	serotonin transporter	0.0033	0.018	0.0372
Plasmodium falciparum	acyl-CoA synthetase	0.0037	0.023	1
Echinococcus granulosus	polycomb protein SCMH1	0.005	0.0388	0.0936
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0021	0.0046	0.9986
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0236	0.2576	0.6911
Brugia malayi	hypothetical protein	0.0027	0.0112	0.0302
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.0377	1
Brugia malayi	RNA binding protein	0.0334	0.3728	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0072	0.0643	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0046	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0033	0.018	0.0372
Schistosoma mansoni	tar DNA-binding protein	0.0334	0.3728	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0258	0.0582
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0236	0.2576	0.6875
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0357	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0377	0.0906
Loa Loa (eye worm)	hypothetical protein	0.016	0.1675	0.4429
Loa Loa (eye worm)	hypothetical protein	0.0057	0.047	0.1158
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0046	0.0007
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0216	0.2338	0.6229
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0112	0.1153
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.018	0.7309
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0021	0.0046	1
Echinococcus granulosus	nibrin	0.0021	0.0046	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0033	0.018	0.0372
Mycobacterium ulcerans	hypothetical protein	0.0049	0.0377	1
Schistosoma mansoni	tar DNA-binding protein	0.0334	0.3728	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.018	0.0372
Plasmodium vivax	amine transporter, putative	0.0033	0.018	0.7309
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0037	0.023	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0033	0.018	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0033	0.018	0.0372
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0021	0.0046	1
Schistosoma mansoni	topbp1	0.0021	0.0046	0.0007
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.0377	0.5559
Brugia malayi	mbt repeat family protein	0.005	0.0388	0.1041
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0151	0.1571	0.4215
Entamoeba histolytica	hypothetical protein	0.0021	0.0046	0.004
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0057	0.047	0.1261
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0334	0.3728	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0151	0.1571	0.4215
Echinococcus granulosus	transcription factor Dp 1	0.0042	0.0286	0.066
Echinococcus granulosus	SAM and MBT domain containing protein	0.005	0.0388	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1009	0.2622
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0072	0.0643	0.1629
Plasmodium falciparum	amino acid transporter, putative	0.0033	0.018	0.7309
Loa Loa (eye worm)	hypothetical protein	0.0037	0.023	0.0507
Schistosoma mansoni	topbp1	0.0021	0.0046	0.0007
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0049	0.0377	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0357	0.0852
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0112	0.3626
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.0377	0.1011
Entamoeba histolytica	acyl-coA synthetase, putative	0.0049	0.0377	0.5559
Schistosoma mansoni	hypothetical protein	0.0048	0.0357	0.0852
Brugia malayi	hypothetical protein	0.0021	0.0046	0.0122
Onchocerca volvulus		0.0033	0.018	0.1017
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0046	0.9986
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0199	0.2131	0.2097
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0033	0.018	0.7309
Loa Loa (eye worm)	hypothetical protein	0.0033	0.018	0.0372
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0049	0.0377	1
Schistosoma mansoni	chromosome transmission fidelity factor	0.0021	0.0046	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0033	0.018	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0216	0.2338	0.6229
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0021	0.0046	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.0377	0.5559
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0046	0.0007
Brugia malayi	latrophilin 2 splice variant baaae	0.0103	0.1009	0.2708
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0033	0.018	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0236	0.2576	0.6875
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0033	0.018	0.0138
Echinococcus multilocularis	muscleblind protein 1	0.016	0.1675	0.1639
Schistosoma mansoni	sodium/chloride dependent transporter	0.0033	0.018	0.0372
Trichomonas vaginalis	replication factor C large subunit, putative	0.0021	0.0046	1
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0057	0.047	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0377	0.0906
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0072	0.0643	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0046	0.0007
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0236	0.2576	0.2544
Brugia malayi	TAR-binding protein	0.0334	0.3728	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0033	0.018	0.0372
Schistosoma mansoni	tar DNA-binding protein	0.0334	0.3728	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0033	0.018	0.0372
Echinococcus multilocularis	muscleblind protein	0.016	0.1675	0.1639
Treponema pallidum	sodium- and chloride- dependent transporter	0.0033	0.018	1
Entamoeba histolytica	hypothetical protein	0.0039	0.0258	0.357
Loa Loa (eye worm)	hypothetical protein	0.0037	0.023	0.0507
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0072	0.0643	0.1629
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0033	0.018	0.0372
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0357	0.0315
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0035	0.0206	0.4882
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0021	0.0046	0.004
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0112	0.0188
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0072	0.0643	0.0603
Loa Loa (eye worm)	hypothetical protein	0.0037	0.023	0.0507
Brugia malayi	DKFZp564C0469 protein	0.0021	0.0046	0.0122
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0258	0.0582
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.0377	0.5559
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0043	0.0116
Loa Loa (eye worm)	MBCTL1	0.0057	0.047	0.1158
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.0377	0.5559
Schistosoma mansoni	hypothetical protein	0.0048	0.0357	0.0852
Onchocerca volvulus	Huntingtin homolog	0.0134	0.1369	1
Echinococcus granulosus	replication factor c subunit 1	0.0021	0.0046	0.0007
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0357	0.0958
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0046	0.0007
Loa Loa (eye worm)	hypothetical protein	0.016	0.1675	0.4429
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0357	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0046	0.0007
Echinococcus multilocularis	serotonin transporter	0.0033	0.018	0.0138
Brugia malayi	Muscleblind-like protein	0.016	0.1675	0.4493
Toxoplasma gondii	hypothetical protein	0.0033	0.018	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
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)	= 1.77 %	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)	= 2.19 %	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)	= 6.44 %	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)	= 64 %	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)	= 85 %	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)	= 3.33	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -2 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= -1 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 64 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 85 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 5.98	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 1.03823 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.

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External resources for this compound

ChEMBL: CHEMBL586269
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 593690