TDR Targets

Basic information

Technical information

TDR Targets ID: 1241163
Name: SMR000457803
MW: 302.348 | Formula: C15H14N2O3S
H donors: 0 H acceptors: 4 LogP: 1.45 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C1CC(=C(S(=O)(=O)C1C#N)C#N)C
InChi: 1S/C15H14N2O3S/c1-10-7-13(11-3-5-12(20-2)6-4-11)15(9-17)21(18,19)14(10)8-16/h3-6,13,15H,7H2,1-2H3
InChiKey: IBNTYHCLZQUSPL-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

Maybridge1_003065
Oprea1_271785
3-(4-methoxyphenyl)-5-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-thiine-2,6-dicarbonitrile
MLS000851360

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	glutaminase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	beta-lactamase	0.0036	0.0241	0.0682
Echinococcus granulosus	GPCR family 2	0.0033	0.021	0.0383
Loa Loa (eye worm)	serotonin transporter b	0.0243	0.2423	0.7263
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0041	0.0298	0.0543
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.019	0.0571
Loa Loa (eye worm)	hypothetical protein	0.005	0.0391	0.1174
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0418	0.0658
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0241	0.044
Loa Loa (eye worm)	hypothetical protein	0.0243	0.2423	0.7263
Echinococcus multilocularis	protein dispatched 1	0.0057	0.0466	0.0466
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0298	0.0437
Onchocerca volvulus		0.0243	0.2423	1
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.05	0.125
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0391	0.0941
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0061	0.0182
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0241	0.0616
Onchocerca volvulus		0.0028	0.016	0.0058
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0241	0.762
Echinococcus multilocularis	lamin dm0	0.0027	0.0147	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0028	0.016	0.0479
Echinococcus multilocularis	protein patched	0.005	0.0391	0.0391
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0041	0.0298	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0243	0.2423	0.7251
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0418	0.1252
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0061	0.05	0.05
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3576	1
Echinococcus multilocularis	sphingosine kinase 1	0.0298	0.2993	0.2993
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.016	0.0302
Mycobacterium ulcerans	lipase LipD	0.0036	0.0241	0.0551
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0061	0.0111
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0061	0.05	0.15
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.016	0.0302
Echinococcus granulosus	geminin	0.0534	0.5484	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0061	0.05	0.0912
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0066	0.0118
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0241	0.0616
Echinococcus granulosus	Niemann Pick C1 protein	0.0167	0.1622	0.2958
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0241	0.0616
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.1265
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.1265
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0061	0.05	1
Onchocerca volvulus		0.0041	0.0298	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0298	0.0893
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0241	0.0514
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0085	0.1011
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.016	0.225
Mycobacterium ulcerans	hypothetical protein	0.0028	0.016	0.0302
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.0958	0.2841
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0066	0.012
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0147	0.0439
Echinococcus multilocularis	Niemann Pick C1 protein	0.0117	0.1094	0.1094
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.1677	0.4935
Loa Loa (eye worm)	hypothetical protein	0.0028	0.016	0.0479
Echinococcus granulosus	mitogen activated protein kinase	0.0061	0.05	0.0912
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.016	0.0337
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0066	0.0118
Trypanosoma brucei	unspecified product	0.0019	0.0066	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0062	0.051	0.153
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.1265
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0066	0.0198
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0041	0.0298	0.0893
Loa Loa (eye worm)	norepinephrine transporter	0.0243	0.2423	0.7263
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.1265
Echinococcus multilocularis	expressed conserved protein	0.011	0.1019	0.1019
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0066	0.0153
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.021	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0085	0.0254
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0418	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0958	0.2873
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0418	0.0761
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.016	0.0436
Schistosoma mansoni	hypothetical protein	0.0048	0.0372	0.0575
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.1265
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0241	0.0551
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0066	0.1265
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0612	0.1797
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0418	0.0761
Echinococcus multilocularis	muscleblind protein 1	0.0327	0.3299	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0243	0.2423	0.7263
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0241	0.0333
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0298	0.0852
Trichomonas vaginalis	glutaminase, putative	0.033	0.3336	0.9317
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0061	0.05	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0298	0.0852
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.138	0.4137
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0298	0.5393
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3576	1
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0041	0.0298	0.0852
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0041	0.0298	0.0298
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.021	0.0587
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0241	0.0724
Loa Loa (eye worm)	glutaminase	0.033	0.3336	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0041	0.0298	0.0437
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0066	0.0015
Leishmania major	hypothetical protein, conserved	0.0036	0.0241	0.4109
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.005	0.0391	0.1174
Echinococcus granulosus	expressed conserved protein	0.011	0.1019	0.1859
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0066	0.0066
Onchocerca volvulus		0.0036	0.0241	0.0417
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0241	0.0616
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.05	0.125
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0241	0.0616
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0298	0.0437
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.1265
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.3576	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0073	0.004
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0418	0.1212
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.1265
Echinococcus granulosus	sterol regulatory element binding protein	0.005	0.0391	0.0714
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0241	0.0514
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0241	0.0551
Schistosoma mansoni	hypothetical protein	0.0033	0.021	0.0275
Schistosoma mansoni	hypothetical protein	0.0033	0.021	0.0275
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0066	0.0118
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0041	0.0298	0.0298
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0073	0.004
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0061	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0418	0.0658
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0066	0.0015
Plasmodium falciparum	amino acid transporter, putative	0.0041	0.0298	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3576	1
Loa Loa (eye worm)	hypothetical protein	0.0117	0.1094	0.328
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.016	0.0436
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0066	0.0018
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0061	0.1161
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0066	0.001
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.1265
Onchocerca volvulus		0.0036	0.0241	0.0417
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0066	0.001
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.016	0.0302
Echinococcus multilocularis	serotonin transporter	0.0243	0.2423	0.2423
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0241	0.0724
Brugia malayi	intermediate filament protein	0.0027	0.0147	0.0396
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0041	0.0298	0.0437
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0117	0.1094	0.2939
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0298	0.0893
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0085	0.0082
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0041	0.0298	0.0852
Schistosoma mansoni	hypothetical protein	0.0534	0.5484	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0073	0.004
Trypanosoma brucei	protein kinase, putative	0.0061	0.05	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0418	0.0658
Onchocerca volvulus		0.0036	0.0241	0.0417
Entamoeba histolytica	acyl-coA synthetase, putative	0.0028	0.016	0.0281
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.021	0.0587
Echinococcus granulosus	dna polymerase eta	0.0019	0.0066	0.012
Loa Loa (eye worm)	glutaminase 2	0.033	0.3336	1
Treponema pallidum	sodium- and chloride- dependent transporter	0.0243	0.2423	0.672
Echinococcus granulosus	sphingosine kinase 1	0.0298	0.2993	0.5457
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0041	0.0298	0.0437
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0066	0.0118
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0066	0.012
Echinococcus granulosus	sodium and chloride dependent glycine	0.0041	0.0298	0.0543
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.2279	0.7565
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0061	0.05	1
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0066	0.0016
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3576	1
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0041	0.0298	0.0543
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0241	0.4109
Brugia malayi	Muscleblind-like protein	0.0327	0.3299	0.989
Toxoplasma gondii	ABC1 family protein	0.0036	0.0241	0.4109
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0241	0.0616
Brugia malayi	glutaminase DH11.1	0.033	0.3336	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.021	0.021
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0061	0.05	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0147	0.0439
Echinococcus multilocularis	lamin	0.0027	0.0147	0.0147
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0066	0.0153
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.3576	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.021	0.021
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0066	0.0015
Schistosoma mansoni	sodium/chloride dependent transporter	0.0042	0.0304	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0298	0.0893
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0041	0.0298	0.0437
Echinococcus granulosus	lamin	0.0027	0.0147	0.0267
Brugia malayi	beta-lactamase family protein	0.0036	0.0241	0.0682
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0066	0.1265
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3576	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0241	0.0241
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0241	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0085	0.0254
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0066	0.0118
Echinococcus multilocularis	musashi	0.0027	0.0147	0.0147
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0041	0.0298	0.0298
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0015	0.0045
Mycobacterium ulcerans	glutaminase	0.033	0.3336	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0241	0.0724
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0061	0.05	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0241	0.0724
Schistosoma mansoni	glutaminase	0.033	0.3336	0.6039
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.05	0.125
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0241	0.0333
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0147	0.0396
Echinococcus multilocularis	GPCR, family 2	0.0033	0.021	0.021
Echinococcus multilocularis	sterol regulatory element binding protein	0.005	0.0391	0.0391
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0298	0.5393
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3299	0.9891
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0298	0.0437
Echinococcus granulosus	Niemann Pick C1 protein	0.0117	0.1094	0.1995
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.016	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0298	0.0893
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.1677	0.5512
Schistosoma mansoni	lamin	0.0027	0.0147	0.0158
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0041	0.0298	0.5393
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.1677	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0085	0.0073
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0066	0.1265
Schistosoma mansoni	hypothetical protein	0.0048	0.0372	0.0575
Echinococcus multilocularis	geminin	0.0534	0.5484	0.5484
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0066	0.1265
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0241	0.0682
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.016	0.0302
Schistosoma mansoni	lamin	0.0027	0.0147	0.0158
Echinococcus multilocularis	Niemann Pick C1 protein	0.0167	0.1622	0.1622
Loa Loa (eye worm)	hypothetical protein	0.0243	0.2423	0.7263
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0241	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0298	0.0893
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3576	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0041	0.0298	0.0543
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.016	0.225
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0041	0.0298	0.0543
Brugia malayi	MH2 domain containing protein	0.0144	0.138	0.411
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0085	0.1011
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3576	1
Echinococcus granulosus	lamin dm0	0.0027	0.0147	0.0267
Schistosoma mansoni	hypothetical protein	0.0534	0.5484	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0241	0.0724
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0041	0.0298	0.0298
Mycobacterium tuberculosis	Conserved protein	0.0298	0.2993	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0066	0.0018
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0241	0.0551
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0041	0.0298	0.0298
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.016	0.0302
Onchocerca volvulus		0.0041	0.0298	0.0665
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0066	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0085	0.0254
Brugia malayi	Niemann-Pick C1 protein precursor	0.0117	0.1094	0.3249
Schistosoma mansoni	serine/threonine protein kinase	0.0061	0.05	0.081
Echinococcus granulosus	sodium and chloride dependent glycine	0.0041	0.0298	0.0543
Trichomonas vaginalis	esterase, putative	0.0036	0.0241	0.0514
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0041	0.0298	0.0893
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0041	0.0298	0.0437
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3576	1
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0298	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0241	0.0724
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0061	0.05	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0119	0.1113	0.194
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0141	0.0424
Echinococcus granulosus	serotonin transporter	0.0243	0.2423	0.4418
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0298	0.0893
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0085	0.0254
Echinococcus multilocularis	muscleblind protein	0.0327	0.3299	0.3299
Toxoplasma gondii	hypothetical protein	0.0041	0.0298	0.5393
Schistosoma mansoni	sodium/chloride dependent transporter	0.0243	0.2423	0.4355
Schistosoma mansoni	hypothetical protein	0.0048	0.0372	0.0575
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0147	0.0158
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.016	0.225
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0066	0.0198
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.138	0.4137
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0066	0.0016
Giardia lamblia	Kinase, CMGC MAPK	0.0061	0.05	0.125
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0243	0.2423	0.4355
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0061	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0241	0.0724
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3299	0.9891
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0241	0.0724
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0243	0.2423	0.7263
Leishmania major	DNA polymerase eta, putative	0.0019	0.0066	0.0118
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.021	0.0383
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0241	0.0616
Echinococcus multilocularis	mitogen activated protein kinase	0.0061	0.05	0.05
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.016	0.0281
Onchocerca volvulus		0.0041	0.0298	0.0665
Schistosoma mansoni	hypothetical protein	0.0033	0.021	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0298	0.0893
Loa Loa (eye worm)	hypothetical protein	0.0298	0.2993	0.8972
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.05	0.125
Plasmodium vivax	amine transporter, putative	0.0041	0.0298	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0418	0.0418
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0066	0.0118
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0298	0.0437
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.016	0.0281
Schistosoma mansoni	hypothetical protein	0.0033	0.021	0.0275
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0085	0.0254
Schistosoma mansoni	hypothetical protein	0.0048	0.0372	0.0575
Brugia malayi	Cytochrome P450 family protein	0.0031	0.019	0.0528
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0066	0.0015
Brugia malayi	MAP kinase sur-1	0.0061	0.05	0.1461
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0612	0.1834
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0066	0.1265
Plasmodium falciparum	transporter, putative	0.0041	0.0298	1
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.016	0.0436
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.016	0.0337
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0147	0.0439
Brugia malayi	CHE-14 protein	0.005	0.0391	0.1134
Brugia malayi	beta-lactamase family protein	0.0036	0.0241	0.0682
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0066	0.001
Loa Loa (eye worm)	hypothetical protein	0.0028	0.016	0.0479
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0241	0.0551
Schistosoma mansoni	patched 1	0.005	0.0391	0.061
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.016	0.0302
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.0958	0.2873
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.3576	1
Echinococcus granulosus	intermediate filament protein	0.0027	0.0147	0.0267
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0241	0.0538
Mycobacterium ulcerans	hypothetical protein	0.0298	0.2993	0.8953
Entamoeba histolytica	hypothetical protein, conserved	0.0298	0.2993	0.8341
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0241	0.0616
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0066	0.0066
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0241	0.0616
Toxoplasma gondii	hypothetical protein	0.0041	0.0298	0.5393
Brugia malayi	hypothetical protein	0.0041	0.0298	0.0852
Echinococcus granulosus	muscleblind protein	0.0327	0.3299	0.6016
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0041	0.0298	0.0437
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0241	0.0514
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0061	0.05	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.021	0.0629
Schistosoma mansoni	sphingoid long chain base kinase	0.0298	0.2993	0.5406
Schistosoma mansoni	sphingosine kinase A B	0.0298	0.2993	0.5406
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0241	0.0538
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0061	0.05	1
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0241	0.0616
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0066	0.0118
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.0958	0.2841
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0073	0.004
Schistosoma mansoni	hypothetical protein	0.0071	0.0612	0.1016
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0241	0.4793
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0241	0.4109
Echinococcus granulosus	Protein patched homolog 1	0.005	0.0391	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0033	0.021	0.0629
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.3576	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0026 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)	0.5623 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	1 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 6.2946 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))]	ChEMBL.	No reference
Potency (functional)	75.6863 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1325681

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1241163