TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 439.436 | Formula: C18H19F2N5O4S
H donors: 4 H acceptors: 5 LogP: 1.47 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CSc1nc(N)c(c(n1)O)NC(=O)c1ccc(c(c1)F)F)NCC1CCCO1
InChi: 1S/C18H19F2N5O4S/c19-11-4-3-9(6-12(11)20)16(27)23-14-15(21)24-18(25-17(14)28)30-8-13(26)22-7-10-2-1-5-29-10/h3-4,6,10H,1-2,5,7-8H2,(H,22,26)(H,23,27)(H3,21,24,25,28)
InChiKey: MOJHSHBPFMDQOB-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768

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	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0357	0.1619
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0357	0.2485
Brugia malayi	beta-lactamase family protein	0.0038	0.1152	0.1207
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0137	0.5509	0.793
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.1152	0.0968
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0502	0.0528
Brugia malayi	beta-lactamase	0.0038	0.1152	0.1207
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.1152	0.0968
Entamoeba histolytica	hypothetical protein	0.0036	0.1076	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0502	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0357	0.2485
Echinococcus granulosus	pyruvate kinase	0.0017	0.0255	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0602	0.0646
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0203	0.0175
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0288	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0551	0.0585
Schistosoma mansoni	hypothetical protein	0.0031	0.0883	0.1271
Plasmodium vivax	SET domain protein, putative	0.003	0.0804	0.6328
Onchocerca volvulus		0.003	0.0804	0.0274
Schistosoma mansoni	hypothetical protein	0.017	0.6947	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.1076	0.1549
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0551	0.2692
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0357	0.2485
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0962	0.1385
Onchocerca volvulus		0.0038	0.1152	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0288	0.0274
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0962	0.0446
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0502	0.315
Schistosoma mansoni	pyruvate kinase	0.0033	0.0962	0.1385
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0962	0.0446
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0502	0.0154
Echinococcus granulosus	GPCR family 2	0.0031	0.0883	0.1271
Onchocerca volvulus		0.0027	0.0684	0.0144
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.1152	0.0844
Brugia malayi	beta-lactamase family protein	0.0038	0.1152	0.1207
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0245	0.0042
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.1152	1
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0962	0.0981
Onchocerca volvulus		0.0235	0.9775	1
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.1152	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0502	0.0723
Loa Loa (eye worm)	beta-lactamase	0.0038	0.1152	0.1294
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0551	0.0491
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0137	0.5509	0.793
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0357	0.2485
Leishmania major	hypothetical protein, conserved	0.0038	0.1152	1
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0203	0.0077
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0551	0.0491
Schistosoma mansoni	hypothetical protein	0.0031	0.0883	0.1271
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0551	0.3043
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.1152	0.1658
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1152	0.0968
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0502	0.3858
Brugia malayi	Pre-SET motif family protein	0.003	0.0804	0.0792
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0357	0.1619
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0357	0.2485
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0203	0.1033
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0502	0.0305
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.385	0.4423
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0502	0.2019
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1152	0.0968
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2852	0.4105
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0203	0.1033
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0203	0.0293
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0962	0.107
Trypanosoma brucei	pyruvate kinase 1	0.0033	0.0962	0.8204
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0255	0.0367
Onchocerca volvulus	Huntingtin homolog	0.0122	0.4842	0.4652
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0883	0.1271
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0137	0.5509	0.6436
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0551	0.3043
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0203	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1152	0.1294
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0077	0.0025
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.1152	0.0968
Echinococcus granulosus	pyruvate kinase	0.0017	0.0255	0.0367
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0357	0.0514
Chlamydia trachomatis	pyruvate kinase	0.0033	0.0962	1
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0357	0.0514
Schistosoma mansoni	hypothetical protein	0.0031	0.0883	0.1271
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0883	0.0977
Onchocerca volvulus		0.0038	0.1152	0.0652
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0523	0.0552
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0357	0.0804
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0804	0.1157
Leishmania major	pyruvate kinase	0.0033	0.0962	0.7997
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0551	0.3043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0357	0.2485
Brugia malayi	TAR-binding protein	0.0076	0.2852	0.3234
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0602	0.4206
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0756	0.1088
Schistosoma mansoni	ap endonuclease	0.0023	0.0502	0.0723
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0203	0.0293
Leishmania major	pyruvate kinase	0.0033	0.0962	0.7997
Brugia malayi	RNA binding protein	0.0076	0.2852	0.3234
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0502	0.3495
Echinococcus granulosus	pyruvate kinase	0.0033	0.0962	0.1385
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0502	0.0723
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.1152	0.0844
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0962	0.1385
Brugia malayi	hypothetical protein	0.0016	0.0215	0.0091
Loa Loa (eye worm)	hypothetical protein	0.003	0.0804	0.0883
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.1152	0.1207
Toxoplasma gondii	exonuclease III APE	0.0023	0.0502	0.315
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1152	0.1294
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0357	0.0157
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0551	0.366
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.385	0.4423
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0962	0.0446
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0357	0.2485
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0551	0.3043
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0551	0.2692
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2852	0.4105
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0357	0.2485
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0357	0.1619
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0357	0.026
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0684	0.0742
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0357	0.1619
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.1152	0.0844
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0962	0.7997
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0804	0.1157
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0551	0.0354
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0551	0.3043
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0137	0.5509	0.64
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.2476	0.2786
Echinococcus multilocularis	musashi	0.0027	0.0684	0.0984
Brugia malayi	hypothetical protein	0.0122	0.4842	0.5606
Echinococcus granulosus	geminin	0.017	0.6947	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.0502	0.2483
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0203	0.0293
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.1152	0.0844
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0962	0.107
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.1152	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0357	0.2485
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0203	0.0293
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0804	0.1157
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2476	0.2857
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0288	0.0274
Echinococcus multilocularis	lamin dm0	0.0027	0.0684	0.0984
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0137	0.5509	0.793
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0288	0.0274
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0203	0.0293
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.1152	0.1294
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0357	0.0514
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0206	0.8529	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0502	0.315
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1152	0.1294
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0357	0.1619
Mycobacterium ulcerans	hypothetical protein	0.0038	0.1152	1
Trichomonas vaginalis	esterase, putative	0.0038	0.1152	0.0844
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0357	0.1619
Entamoeba histolytica	hypothetical protein	0.0036	0.1076	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0357	0.0356
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2852	0.4105
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0962	0.7997
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.1152	0.1658
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0245	0.0042
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0357	0.2485
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0288	0.1109
Schistosoma mansoni	lamin	0.0027	0.0684	0.0984
Echinococcus granulosus	intermediate filament protein	0.0027	0.0684	0.0984
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.1152	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0662	0.0717
Onchocerca volvulus		0.0038	0.1152	0.0652
Schistosoma mansoni	hypothetical protein	0.0031	0.0883	0.1271
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.0962	0.7802
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.1152	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0804	0.1157
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0357	0.0514
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0551	0.3043
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0883	0.1271
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0357	0.0514
Schistosoma mansoni	hypothetical protein	0.0068	0.2476	0.3565
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0502	0.0433
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2852	0.4105
Brugia malayi	hypothetical protein	0.0036	0.1076	0.1117
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0245	0.0042
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0551	0.0354
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0245	0.0042
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0684	0.0742
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0804	0.6328
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.1152	0.1658
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.1152	0.0844
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0357	0.0514
Schistosoma mansoni	hypothetical protein	0.017	0.6947	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.4842	0.5649
Onchocerca volvulus		0.0027	0.0684	0.0144
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0502	0.3939
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0288	0.0274
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.1076	0.1549
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0357	0.0514
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0804	0.1157
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0883	0.0977
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0137	0.5509	0.793
Entamoeba histolytica	hypothetical protein	0.0036	0.1076	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0602	0.4206
Toxoplasma gondii	ABC1 family protein	0.0038	0.1152	1
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.0523	0.2303
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0551	0.0491
Echinococcus granulosus	pyruvate kinase	0.0033	0.0962	0.1385
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.1152	0.1658
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0357	0.0356
Echinococcus granulosus	lamin	0.0027	0.0684	0.0984
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0357	0.2485
Loa Loa (eye worm)	hypothetical protein	0.0099	0.385	0.4478
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0502	0.5
Mycobacterium leprae	Probable lipase LipE	0.0038	0.1152	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0137	0.5509	0.793
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.1152	0.0968
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0602	0.4206
Trypanosoma brucei	unspecified product	0.0019	0.0357	0.2485
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1152	0.1294
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0804	0.1157
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0962	0.0642
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0656	0.0944
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2852	0.3234
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0357	0.144
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0502	0.315
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0139	0.0099
Leishmania major	DNA polymerase eta, putative	0.0019	0.0357	0.1619
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2852	0.4105
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0602	0.4206
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0602	0.4206
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0883	0.1271
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1152	0.0968
Mycobacterium ulcerans	beta-lactamase	0.0038	0.1152	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0255	0.0367
Echinococcus granulosus	dna polymerase eta	0.0019	0.0357	0.0514
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0962	0.0642
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0203	0.0077
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0684	0.0984
Schistosoma mansoni	ap endonuclease	0.0023	0.0502	0.0723
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0357	0.0804
Schistosoma mansoni	pyruvate kinase	0.0017	0.0255	0.0367
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0883	0.1271
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2852	0.3301
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0033	0.0962	0.684
Trypanosoma brucei	pyruvate kinase 1, putative	0.0033	0.0962	0.8204
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0551	0.366
Loa Loa (eye worm)	hypothetical protein	0.0122	0.4842	0.5649
Toxoplasma gondii	pyruvate kinase PyKII	0.0017	0.0255	0.0546
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0357	0.2485
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0551	0.3043
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.9775	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0962	0.0774
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0357	0.0157
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0357	0.0514
Onchocerca volvulus	Huntingtin homolog	0.0122	0.4842	0.4652
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0883	0.1271
Plasmodium vivax	pyruvate kinase 2, putative	0.0017	0.0255	0.0546
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0602	0.5259
Schistosoma mansoni	pyruvate kinase	0.0033	0.0962	0.1385
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0077	0.011
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0357	0.2485
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0255	0.0367
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0883	0.0887
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0077	0.011
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0551	0.2692
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0137	0.5509	0.793
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0551	0.3043
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.1152	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0551	0.0585
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0883	0.0887
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0523	0.0552
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.1152	0.0968
Echinococcus multilocularis	geminin	0.017	0.6947	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0502	0.315
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.385	0.4478
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0684	0.065
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0137	0.5509	0.793
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2852	0.4105
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.1152	0.0968
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0551	0.366
Brugia malayi	intermediate filament protein	0.0027	0.0684	0.065
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0357	0.1619
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0804	0.1157
Schistosoma mansoni	lamin	0.0027	0.0684	0.0984
Schistosoma mansoni	hypothetical protein	0.0036	0.1076	0.1549
Giardia lamblia	Pyruvate kinase	0.0033	0.0962	1
Entamoeba histolytica	hypothetical protein	0.0036	0.1076	1
Plasmodium falciparum	pyruvate kinase 2	0.0017	0.0255	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1152	0.1294
Mycobacterium ulcerans	lipase LipD	0.0038	0.1152	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0357	0.026
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.1152	1
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0962	0.7997
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0288	0.0274
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0962	0.107
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0962	0.7997
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2852	0.3301
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0203	0.0293
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0357	0.2485
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0962	0.107
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0502	0.0154
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2852	0.3301
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0962	0.0981
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2852	0.4105
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0288	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1152	0.1294
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.1076	0.1549
Brugia malayi	Pre-SET motif family protein	0.0206	0.8529	1
Plasmodium falciparum	pyruvate kinase	0.0033	0.0962	1
Echinococcus multilocularis	lamin	0.0027	0.0684	0.0984
Echinococcus granulosus	lamin dm0	0.0027	0.0684	0.0984
Brugia malayi	hypothetical protein	0.0025	0.0602	0.0552
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.1152	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0551	0.0585
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0602	0.4804
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0684	0.0742
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0602	0.5259
Echinococcus granulosus	pyruvate kinase	0.0017	0.0255	0.0367

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.8888 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.5113 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)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1870963

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1123802