TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 657.082 | Formula: C32H32ClF3N6O4
H donors: 5 H acceptors: 4 LogP: 3.3 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.O=C(Nc1cc(ccc1C)Cn1ncc(c(c1=O)Cl)NC1CCNCC1)Nc1ccc(cc1)c1ccccc1
InChi: 1S/C30H31ClN6O2.C2HF3O2/c1-20-7-8-21(19-37-29(38)28(31)27(18-33-37)34-25-13-15-32-16-14-25)17-26(20)36-30(39)35-24-11-9-23(10-12-24)22-5-3-2-4-6-22;3-2(4,5)1(6)7/h2-12,17-18,25,32,34H,13-16,19H2,1H3,(H2,35,36,39);(H,6,7)
InChiKey: UXHRMENNJDLRIL-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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)	hypothetical protein	0.0011	0.0035	0.0197
Schistosoma mansoni	cpg binding protein	0.0029	0.0268	0.0471
Schistosoma mansoni	hypothetical protein	0.0031	0.0289	0.0513
Schistosoma mansoni	glutamate receptor kainate	0.0059	0.0655	0.1253
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0289	0.1648
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0352	0.1109
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.049	0.4061
Loa Loa (eye worm)	glutamate receptor 1	0.0059	0.0655	0.374
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0338	0.9499
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0066	0.0181
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.049	0.4061
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0014	0.0066	0.0087
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.046	0.0858
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0352	0.5069
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0066	0.0087
Brugia malayi	TAR-binding protein	0.0061	0.0679	0.3753
Echinococcus multilocularis	muscleblind protein 1	0.0144	0.1752	0.1752
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0338	0.1058
Onchocerca volvulus		0.0057	0.0631	1
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0066	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0352	0.2011
Schistosoma mansoni	hypothetical protein	0.0169	0.2069	0.4106
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0057	0.0631	0.0631
Echinococcus granulosus	glutamate receptor NMDA	0.0233	0.2899	0.5811
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0066	0.0374
Echinococcus multilocularis	expressed conserved protein	0.0092	0.1079	0.1079
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0066	0.0374
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0071	0.0801	0.1605
Entamoeba histolytica	hypothetical protein	0.0036	0.0352	0.2832
Echinococcus granulosus	glutamate receptor 2	0.0049	0.0517	0.1036
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0057	0.0631	1
Leishmania major	acetyl-CoA synthetase, putative	0.0014	0.0066	0.0681
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0057	0.0631	0.1265
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0352	0.676
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0679	0.0679
Echinococcus granulosus	GPCR family 2	0.0031	0.0289	0.0579
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0752	0.4181
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0066	0.0374
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0022	0.0173	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0352	0.2011
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.049	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0035	0.0338	0.6421
Echinococcus multilocularis	muscleblind protein	0.0144	0.1752	0.1752
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0352	0.2011
Loa Loa (eye worm)	hypothetical protein	0.0047	0.049	0.2796
Schistosoma mansoni	glutamate receptor AMPA	0.0059	0.0655	0.1253
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0066	0.0181
Trichomonas vaginalis	esterase, putative	0.0036	0.0352	0.5069
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0035	0.0197
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0011	0.0035	0.0035
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.046	0.0921
Echinococcus granulosus	nmda type glutamate receptor	0.0244	0.3045	0.6102
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0573	0.3273
Echinococcus multilocularis	glutamate receptor NMDA	0.0233	0.2899	0.2899
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0352	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0289	0.0513
Echinococcus multilocularis	cpg binding protein	0.0029	0.0268	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0352	0.2011
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0352	0.0641
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0289	0.0289
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0679	0.3753
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0433	0.6489
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0022	0.0173	0.0173
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0649	0.124
Echinococcus granulosus	Niemann Pick C1 protein	0.014	0.1699	0.3405
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0289	0.1481
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.049	1
Loa Loa (eye worm)	glutamate receptor	0.0011	0.0035	0.0197
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0352	0.0352
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0289	0.0579
Echinococcus multilocularis	nmda type glutamate receptor	0.0244	0.3045	0.3045
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0679	0.1301
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.046	0.2475
Schistosoma mansoni	hypothetical protein	0.0041	0.0413	0.0764
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0338	1
Brugia malayi	Rhodanese-like domain containing protein	0.0057	0.0631	0.3475
Schistosoma mansoni	patched 1	0.0042	0.0433	0.0804
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.1152	0.6576
Echinococcus granulosus	nmda type glutamate receptor	0.0255	0.3183	0.6379
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0014	0.0066	0.0976
Entamoeba histolytica	rodhanase-like domain containing protein	0.0057	0.0631	0.5323
Echinococcus multilocularis	glutamate receptor 2	0.0049	0.0517	0.0517
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0679	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1752	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0352	0.1109
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0289	0.0289
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0352	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0289	0.0579
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0433	0.0867
Echinococcus multilocularis	NMDA receptor	0.0022	0.0173	0.0173
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0011	0.0035	0.0197
Schistosoma mansoni	glutamate receptor kainate	0.0059	0.0655	0.1253
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0352	0.2011
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0679	0.3876
Entamoeba histolytica	rodhanase-like domain containing protein	0.0057	0.0631	0.5323
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0247	0.1239
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0059	0.0655	0.1313
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0071	0.0801	0.1605
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0631	0.3604
Brugia malayi	Glutamate receptor 2 precursor	0.0059	0.0655	0.3614
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0352	0.1109
Schistosoma mansoni	glutamate receptor NMDA	0.0059	0.0655	0.1253
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0066	0.0087
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0059	0.0655	0.0655
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0555	0.3168
Entamoeba histolytica	hypothetical protein	0.0036	0.0352	0.2832
Onchocerca volvulus		0.0057	0.0631	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0071	0.0801	0.0801
Onchocerca volvulus		0.0014	0.0066	0.052
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0071	0.0801	0.1605
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0352	0.0641
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0679	0.1301
Echinococcus granulosus	receptor type guanylyl cyclase	0.0011	0.0035	0.0069
Loa Loa (eye worm)	glutamate receptor 2	0.0059	0.0655	0.374
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0022	0.0173	0.0173
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0066	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0338	0.1929
Brugia malayi	beta-lactamase family protein	0.0036	0.0352	0.1851
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.1156	0.1156
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0014	0.0066	0.0087
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0011	0.0035	0.0069
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0014	0.0066	0.0131
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.049	0.1599
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.049	0.2651
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0338	0.1929
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0568	1
Echinococcus granulosus	cpg binding protein	0.0029	0.0268	0.0537
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0289	0.1481
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0057	0.0631	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.049	0.4061
Schistosoma mansoni	ATP-binding cassette transporter	0.0059	0.0655	0.1253
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0679	0.1301
Echinococcus granulosus	geminin	0.0169	0.2069	0.4147
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.1152	0.6508
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0338	0.1929
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0352	0.1851
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.046	0.046
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.049	0.1599
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0066	0.0181
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0352	0.5069
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0066	0.0087
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0071	0.0801	0.0801
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.049	1
Onchocerca volvulus		0.0014	0.0066	0.052
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0313	0.097
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0313	0.097
Brugia malayi	Rhodanese-like domain containing protein	0.0057	0.0631	0.3475
Onchocerca volvulus		0.0036	0.0352	0.5326
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0352	0.2011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.046	0.0858
Onchocerca volvulus		0.0014	0.0066	0.052
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0066	0.0374
Onchocerca volvulus		0.0028	0.0247	0.3565
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0352	0.0352
Brugia malayi	CHE-14 protein	0.0042	0.0433	0.2319
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.049	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0433	0.0433
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0014	0.0066	0.0181
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0352	0.2011
Brugia malayi	beta-lactamase	0.0036	0.0352	0.1851
Schistosoma mansoni	cpg binding protein	0.0029	0.0268	0.0471
Echinococcus multilocularis	dnaJ subfamily B	0.0395	0.4989	0.4989
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0014	0.0066	0.0066
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0313	0.097
Echinococcus granulosus	dnaJ subfamily B	0.0395	0.4989	1
Onchocerca volvulus		0.0057	0.0631	1
Schistosoma mansoni	glutamate receptor AMPA	0.0059	0.0655	0.1253
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0313	0.097
Entamoeba histolytica	rodhanase-like domain containing protein	0.0057	0.0631	0.5323
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0679	0.1301
Leishmania major	hypothetical protein, conserved	0.0036	0.0352	0.6981
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0035	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1152	0.6576
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.049	1
Brugia malayi	Muscleblind-like protein	0.0144	0.1752	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0433	0.247
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0433	0.0867
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0352	0.1109
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0352	1
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0011	0.0035	0.0035
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.049	1
Trichomonas vaginalis	cdc25c, putative	0.0057	0.0631	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0289	0.0289
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.046	0.046
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.046	0.2623
Echinococcus multilocularis	geminin	0.0169	0.2069	0.2069
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0352	0.1109
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.049	1
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0066	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0352	0.2011
Schistosoma mansoni	hypothetical protein	0.0041	0.0413	0.0764
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0011	0.0035	0.0197
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0352	0.5069
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0352	0.0641
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0014	0.0066	0.0976
Brugia malayi	beta-lactamase family protein	0.0036	0.0352	0.1851
Echinococcus multilocularis	protein patched	0.0042	0.0433	0.0433
Schistosoma mansoni	hypothetical protein	0.0041	0.0413	0.0764
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0352	1
Schistosoma mansoni	glutamate receptor kainate	0.0059	0.0655	0.1253
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0057	0.0631	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0071	0.0801	0.0801
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.049	0.2651
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0679	0.1361
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.2848	1
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0057	0.0631	0.1204
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0247	0.1412
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.1156	0.6528
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.049	1
Onchocerca volvulus		0.0014	0.0066	0.052
Schistosoma mansoni	hypothetical protein	0.0041	0.0413	0.0764
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0066	0.0087
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0338	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.014	0.1699	0.1699
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0035	0.0197
Schistosoma mansoni	glutamate receptor NMDA	0.0304	0.3811	0.7621
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0573	0.3273
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0352	0.1109
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0022	0.0173	0.0173
Echinococcus granulosus	expressed conserved protein	0.0092	0.1079	0.2162
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0011	0.0035	0.0197
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0066	0.0976
Echinococcus granulosus	tyrosine kinase	0.0011	0.0035	0.0069
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0014	0.0066	0.0087
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0352	0.5069
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0022	0.0173	0.0346
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0352	0.1109
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.046	0.0921
Echinococcus granulosus	glutamate receptor 2	0.0071	0.0801	0.1605
Brugia malayi	Glutamate receptor 1 precursor	0.0059	0.0655	0.3614
Mycobacterium ulcerans	hypothetical protein	0.0047	0.049	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0352	0.1109
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0011	0.0035	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0047	0.049	0.2796
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0014	0.0066	0.0277
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0352	0.5069
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0022	0.0173	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0752	0.4295
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0011	0.0035	0.0069
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0014	0.0066	0.0087
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0014	0.0066	0.0976
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0352	0.676
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0631	0.3604
Entamoeba histolytica	hypothetical protein	0.0036	0.0352	0.2832
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.049	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0011	0.0035	0.0035
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.1156	0.2316
Onchocerca volvulus		0.0047	0.049	0.7629
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0011	0.0035	0.0035
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0352	0.1109
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0066	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0289	0.1648
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0098	0.1156	1
Schistosoma mansoni	cpg binding protein	0.0028	0.0247	0.0429
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.1152	0.6508
Echinococcus multilocularis	glutamate receptor 2	0.0059	0.0655	0.0655
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0057	0.0631	1
Leishmania major	acetyl-CoA synthetase, putative	0.0014	0.0066	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0035	0.0197
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0352	0.676
Schistosoma mansoni	hypothetical protein	0.0031	0.0289	0.0513
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0679	0.3876
Echinococcus multilocularis	tyrosine kinase	0.0011	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0338	0.1929
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.049	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1752	1
Brugia malayi	hypothetical protein	0.0036	0.0352	0.1849
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0679	0.3876
Schistosoma mansoni	hypothetical protein	0.0036	0.0352	0.0641
Entamoeba histolytica	hypothetical protein	0.0036	0.0352	0.2832
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0022	0.0173	0.0173
Onchocerca volvulus		0.0036	0.0352	0.5326
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0011	0.0035	0.0197
Echinococcus multilocularis	nmda type glutamate receptor	0.0255	0.3183	0.3183
Schistosoma mansoni	hypothetical protein	0.0022	0.0173	0.0279
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.046	0.0858
Schistosoma mansoni	hypothetical protein	0.0395	0.4989	1
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0509	0.0509
Echinococcus granulosus	muscleblind protein	0.0144	0.1752	0.3511
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0011	0.0035	0.0197
Echinococcus multilocularis	glutamate receptor 2	0.0071	0.0801	0.0801
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0014	0.0066	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1156	0.6597
Trichomonas vaginalis	cdc25b, putative	0.0057	0.0631	1
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0071	0.0801	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0035	0.0197
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0352	0.676
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.049	1
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.049	0.2651
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0338	0.1929
Schistosoma mansoni	hypothetical protein	0.0169	0.2069	0.4106
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.1175	0.2302
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0352	0.0706
Schistosoma mansoni	hypothetical protein	0.0031	0.0289	0.0513
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0352	0.0705
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0433	0.247
Schistosoma mansoni	acetyl-CoA synthetase	0.0014	0.0066	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0035	0.0197
Trichomonas vaginalis	cdc25b, putative	0.0057	0.0631	1
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0022	0.0173	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0047	0.049	0.2796
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0014	0.0066	0.0087
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0071	0.0801	0.1605
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0035	0.0197
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0352	0.1109
Onchocerca volvulus		0.0036	0.0352	0.5326
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0352	0.676
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0352	0.676
Brugia malayi	RNA binding protein	0.0061	0.0679	0.3753
Toxoplasma gondii	ABC1 family protein	0.0036	0.0352	0.5712
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0057	0.0631	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0014	0.0066	0.0087
Schistosoma mansoni	hypothetical protein	0.0067	0.0752	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0035	0.0197
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.049	1
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0011	0.0035	0.0197
Onchocerca volvulus		0.0057	0.0631	1
Mycobacterium ulcerans	lipase LipD	0.0036	0.0352	0.676

Activities

Activity type	Activity value	Assay description	Source	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)	= 5.14 %	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)	= 5.29 %	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)	= 9.28 %	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)	= 18 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 61 %	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)	= 99 %	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)	= 6.16	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)	= 18 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 61 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 99 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.18	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.65728 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: CHEMBL581171
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 604096