TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 391.488 | Formula: C18H25N5O3S
H donors: 2 H acceptors: 4 LogP: 2.14 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)CNc1nccc(n1)NC1CCN(CC1)S(=O)(=O)C
InChi: 1S/C18H25N5O3S/c1-26-16-5-3-14(4-6-16)13-20-18-19-10-7-17(22-18)21-15-8-11-23(12-9-15)27(2,24)25/h3-7,10,15H,8-9,11-13H2,1-2H3,(H2,19,20,21,22)
InChiKey: RRTLJATXWAQSMV-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
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0355	0.0342
Echinococcus multilocularis	pyruvate kinase	0.0065	0.0588	0.0576
Onchocerca volvulus		0.0154	0.1736	0.2879
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0178	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Onchocerca volvulus		0.0047	0.0349	0.0561
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0323	0.031
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0156	0.1767	0.293
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0065	0.0588	0.0961
Onchocerca volvulus	Pyruvate kinase homolog	0.0065	0.0588	0.0961
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0349	0.0984
Onchocerca volvulus	Peroxidasin homolog	0.0154	0.1736	0.2879
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.0349	0.0305
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.099	0.0978
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0349	0.0561
Echinococcus multilocularis	replication factor c subunit 1	0.0021	0.0013	0.00000035205
Entamoeba histolytica	hypothetical protein	0.0021	0.0018	0.0013
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0144	0.024
Brugia malayi	Tnks protein	0.0021	0.0018	0.0029
Brugia malayi	hypothetical protein	0.0154	0.1736	0.2895
Brugia malayi	hypothetical protein	0.0021	0.0013	0.0022
Trypanosoma brucei	DNA repair protein, putative	0.0037	0.0225	0.0354
Onchocerca volvulus		0.0482	0.5997	1
Loa Loa (eye worm)	animal heme peroxidase	0.0154	0.1736	0.2879
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0065	0.0588	0.0981
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0196	0.0306
Brugia malayi	DKFZp564C0469 protein	0.0021	0.0013	0.0022
Plasmodium vivax	pyruvate kinase 2, putative	0.0033	0.0178	0.0275
Entamoeba histolytica	zinc finger protein, putative	0.0021	0.0018	0.0013
Echinococcus granulosus	thymidylate synthase	0.0482	0.5997	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.099	0.1632
Brugia malayi	Peroxidasin	0.0154	0.1736	0.2895
Entamoeba histolytica	hypothetical protein	0.0021	0.0018	0.0013
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0044	0.0316	0.0506
Echinococcus multilocularis	peroxidasin	0.0154	0.1736	0.1725
Onchocerca volvulus		0.0154	0.1736	0.2879
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0156	0.1767	0.293
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0018	0.0016
Brugia malayi	Animal haem peroxidase family protein	0.0154	0.1736	0.2895
Mycobacterium tuberculosis	Hypothetical protein	0.0229	0.2719	0.4373
Echinococcus granulosus	replication factor c subunit 1	0.0021	0.0013	0.00000058758
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.099	0.1651
Mycobacterium ulcerans	hypothetical protein	0.0047	0.0349	0.0561
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0323	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0279	0.0444
Schistosoma mansoni	hypothetical protein	0.004	0.026	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0349	0.0561
Entamoeba histolytica	hypothetical protein	0.0021	0.0018	0.0013
Onchocerca volvulus	Peroxidase homolog	0.0154	0.1736	0.2879
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0196	0.0306
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.0349	0.0561
Brugia malayi	Animal haem peroxidase family protein	0.0154	0.1736	0.2895
Brugia malayi	thymidylate synthase	0.0482	0.5997	1
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0178	0.0165
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0018	0.0016
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0323	0.0539
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0482	0.5997	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0349	0.0561
Echinococcus granulosus	poly adp ribose polymerase 2	0.0156	0.1767	0.293
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0015	0.0007
Toxoplasma gondii	pyruvate kinase PyK1	0.0065	0.0588	0.0961
Echinococcus granulosus	pyruvate kinase	0.0033	0.0178	0.0275
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0018	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0349	0.0561
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0178	0.0165
Loa Loa (eye worm)	animal heme peroxidase	0.0154	0.1736	0.2879
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0349	0.0582
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0105	0.1111	0.1835
Onchocerca volvulus	Pyruvate kinase homolog	0.0065	0.0588	0.0961
Brugia malayi	Animal haem peroxidase family protein	0.0154	0.1736	0.2895
Trichomonas vaginalis	conserved hypothetical protein	0.0229	0.2719	1
Echinococcus granulosus	neuropeptide s receptor	0.0456	0.5654	0.9427
Brugia malayi	CHE-14 protein	0.0041	0.0279	0.0465
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0105	0.1111	0.11
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0135	0.1494	0.2474
Brugia malayi	Blistered cuticle protein 3	0.0154	0.1736	0.2895
Brugia malayi	WGR domain containing protein	0.0156	0.1767	0.2946
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0196	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0144	0.0218
Echinococcus multilocularis	protein patched	0.0041	0.0279	0.0266
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.0349	0.0561
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0482	0.5997	1
Loa Loa (eye worm)	pyruvate kinase-PB	0.0045	0.0333	0.0535
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.0349	0.0561
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0482	0.5997	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.1006	0.1677
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.0349	0.0305
Schistosoma mansoni	hypothetical protein	0.0031	0.0144	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Plasmodium falciparum	pyruvate kinase 2	0.0033	0.0178	0.0275
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0018	0.0016
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0284	0.3425	0.5702
Schistosoma mansoni	hypothetical protein	0.0105	0.1111	0.1835
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0349	0.0582
Echinococcus multilocularis	pyruvate kinase	0.0051	0.0411	0.0398
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0482	0.5997	1
Schistosoma mansoni	patched 1	0.0041	0.0279	0.0444
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0482	0.5997	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.099	0.2862
Echinococcus granulosus	peroxidasin	0.0154	0.1736	0.2879
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Trypanosoma cruzi	Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative	0.0037	0.0225	0.0354
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0349	0.0561
Giardia lamblia	Pyruvate kinase	0.0033	0.0178	0.286
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.0065	0.0589	0.0577
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0018	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Trypanosoma brucei	pyruvate kinase 1	0.0065	0.0588	0.0961
Schistosoma mansoni	pyruvate kinase	0.0065	0.0588	0.0961
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0349	0.0215
Trichomonas vaginalis	pyruvate kinase, putative	0.0065	0.0588	0.2126
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Echinococcus granulosus	pyruvate kinase	0.0033	0.0178	0.0275
Schistosoma mansoni	hypothetical protein	0.004	0.026	0.0412
Schistosoma mansoni	chromosome transmission fidelity factor	0.0021	0.0013	0.00000058758
Loa Loa (eye worm)	blistered cuticle protein 3	0.0154	0.1736	0.2879
Plasmodium vivax	pyruvate kinase, putative	0.0065	0.0588	0.0961
Echinococcus granulosus	tankyrase	0.0021	0.0018	0.0007
Onchocerca volvulus	Pyruvate kinase homolog	0.0065	0.0588	0.0961
Echinococcus granulosus	pyruvate kinase	0.0065	0.0588	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0196	0.0306
Schistosoma mansoni	pyruvate kinase	0.0033	0.0178	0.0275
Onchocerca volvulus	DNA ligase 3 homolog	0.0037	0.0225	0.0354
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0156	0.1767	0.293
Brugia malayi	hypothetical protein	0.0021	0.0013	0.0022
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0044	0.0316	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Echinococcus multilocularis	pyruvate kinase	0.0065	0.0588	0.0576
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0144	0.0131
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0018	0.0016
Echinococcus granulosus	Niemann Pick C1 protein	0.0137	0.1524	0.2525
Loa Loa (eye worm)	animal heme peroxidase	0.0154	0.1736	0.2879
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0047	0.0349	0.0561
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0323	0.0518
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0323	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0196	0.0306
Loa Loa (eye worm)	tnks protein	0.0021	0.0018	0.0007
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0144	0.024
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1006	0.1658
Brugia malayi	WGR domain containing protein	0.0284	0.3425	0.5711
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0482	0.5997	1
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0156	0.1767	0.1756
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0021	0.0013	0.0022
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0196	0.0042
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0044	0.0316	0.0506
Echinococcus multilocularis	neuropeptide s receptor	0.0456	0.5654	0.5648
Trypanosoma brucei	Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative	0.0037	0.0225	0.0354
Brugia malayi	topoisomerase	0.0021	0.0013	0.0022
Onchocerca volvulus	Tankyrase homolog	0.0021	0.0018	0.0007
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0349	0.0215
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0323	0.0518
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0021	0.0013	0.0000012994
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0065	0.0588	0.0981
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.0349	0.0984
Entamoeba histolytica	hypothetical protein	0.0105	0.1111	0.3219
Echinococcus granulosus	WGR domain containing protein	0.0088	0.0888	0.1462
Brugia malayi	Pax transcription activation domain interacting protein	0.0021	0.0013	0.0022
Loa Loa (eye worm)	pyruvate kinase	0.0065	0.0588	0.0961
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0018	0.0016
Schistosoma mansoni	hypothetical protein	0.0031	0.0144	0.0218
Entamoeba histolytica	pyruvate kinase, putative	0.0045	0.0333	0.0938
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.1006	0.1677
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0323	0.0518
Loa Loa (eye worm)	thymidylate synthase	0.0482	0.5997	1
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0305	0.3693	0.615
Onchocerca volvulus		0.0154	0.1736	0.2879
Echinococcus granulosus	GPCR family 2	0.0031	0.0144	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0216	0.2546	0.4233
Trypanosoma cruzi	DNA repair protein, putative	0.0037	0.0225	0.0354
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0279	0.0982
Schistosoma mansoni	transcription factor LCR-F1	0.0105	0.1111	0.1835
Schistosoma mansoni	hypothetical protein	0.004	0.026	0.0412
Loa Loa (eye worm)	animal heme peroxidase	0.0154	0.1736	0.2879
Schistosoma mansoni	tankyrase	0.0021	0.0018	0.0007
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0021	0.0015	0.0007
Onchocerca volvulus	Dual oxidase homolog	0.0154	0.1736	0.2879
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	0.1524	0.1513
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0156	0.1767	0.293
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0225	0.0354
Loa Loa (eye worm)	pyruvate kinase	0.0065	0.0588	0.0961
Brugia malayi	hypothetical protein	0.0105	0.1111	0.1853
Schistosoma mansoni	peroxidasin	0.0154	0.1736	0.2879
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.0607	0.1012
Mycobacterium ulcerans	thymidylate synthase	0.0482	0.5997	1
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0279	0.0444
Trypanosoma brucei	pyruvate kinase 1, putative	0.0065	0.0588	0.0961
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0144	0.0131
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0144	0.0218
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0196	0.3183
Entamoeba histolytica	hypothetical protein	0.0105	0.1111	0.3219
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0229	0.2719	0.4522
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0018	0.0016
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0098	0.1009	0.1664
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1767	0.293
Plasmodium falciparum	pyruvate kinase	0.0065	0.0588	0.0961
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0018	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0196	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0096	0.099	0.1632
Leishmania major	pyruvate kinase	0.0065	0.0588	0.0629
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0035	0.0196	0.0306
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0279	0.0444
Entamoeba histolytica	hypothetical protein	0.0044	0.0316	0.0888
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.0349	0.0561
Trichomonas vaginalis	replication factor C large subunit, putative	0.0021	0.0013	0.0000012994
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0021	0.0015	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0196	0.0306
Echinococcus granulosus	neuropeptide receptor A26	0.0456	0.5654	0.9427
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0333	0.0535
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0279	0.0444
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0088	0.0888	0.1462
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0349	0.0561
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0065	0.0588	0.0961
Schistosoma mansoni	peroxidasin	0.0154	0.1736	0.2879
Entamoeba histolytica	hypothetical protein	0.0021	0.0018	0.0013
Echinococcus multilocularis	tankyrase	0.0021	0.0018	0.0004
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0349	0.0582
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0021	0.0013	0.0000012994
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0279	0.0266
Echinococcus granulosus	expressed conserved protein	0.009	0.0914	0.1506
Entamoeba histolytica	hypothetical protein	0.0105	0.1111	0.3219
Treponema pallidum	DNA ligase (lig)	0.0021	0.0013	0.5
Echinococcus multilocularis	thymidylate synthase	0.0482	0.5997	0.5992
Echinococcus granulosus	pyruvate kinase	0.0065	0.0588	0.0961
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0144	0.0218
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0144	0.0218
Loa Loa (eye worm)	pyruvate kinase	0.0065	0.0588	0.0961
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0065	0.0588	0.0961
Chlamydia trachomatis	pyruvate kinase	0.0065	0.0588	1
Brugia malayi	Animal haem peroxidase family protein	0.0154	0.1736	0.2895
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0349	0.0561
Schistosoma mansoni	pyruvate kinase	0.0065	0.0588	0.0961
Toxoplasma gondii	pyruvate kinase PyKII	0.0033	0.0178	0.0275
Schistosoma mansoni	hypothetical protein	0.0031	0.0144	0.0218
Schistosoma mansoni	hypothetical protein	0.0031	0.0144	0.0218
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0112	0.1195	0.1975
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0284	0.3425	0.5702
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0021	0.0013	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.1006	0.1658
Schistosoma mansoni	hypothetical protein	0.0066	0.0607	0.0992
Brugia malayi	hypothetical protein	0.0229	0.2719	0.4534
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0284	0.3425	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0399	0.0645
Echinococcus multilocularis	neuropeptide receptor A26	0.0456	0.5654	0.5648
Onchocerca volvulus	Peroxidase homolog	0.0154	0.1736	0.2879
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Schistosoma mansoni	hypothetical protein	0.004	0.026	0.0412
Onchocerca volvulus	Peroxidasin homolog	0.0154	0.1736	0.2879
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0482	0.5997	1
Mycobacterium ulcerans	pyruvate kinase	0.0065	0.0588	0.0961
Brugia malayi	Animal haem peroxidase family protein	0.0154	0.1736	0.2895
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0323	0.0518
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0144	0.0131
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0065	0.0588	0.0715
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0349	0.0215
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0482	0.5997	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0607	0.0992
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0284	0.3425	0.3416
Echinococcus granulosus	pyruvate kinase	0.0033	0.0178	0.0275
Onchocerca volvulus	Chorion peroxidase homolog	0.0154	0.1736	0.2879
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0588	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0015	0.0003
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0349	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1736	0.2879
Giardia lamblia	Pyruvate kinase	0.0065	0.0588	1
Entamoeba histolytica	hypothetical protein	0.0105	0.1111	0.3219
Trichomonas vaginalis	pyruvate kinase, putative	0.0065	0.0588	0.2126
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0482	0.5997	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0323	0.031
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0021	0.0013	0.0000010306
Echinococcus multilocularis	expressed conserved protein	0.009	0.0914	0.0902
Leishmania major	pyruvate kinase	0.0065	0.0588	0.0629

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 12.78 uM	Cytotoxicity against human A549 cells after 48 hrs by MTT assay	ChEMBL.	25016234
IC50 (functional)	= 20.19 uM	Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay	ChEMBL.	25016234

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	25016234

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: CHEMBL3322253

Bibliographic References

No literature references available for this target.

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Detailed information for compound 923652