TDR Targets

Basic information

Technical information

TDR Targets ID: 1331999
Name: 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benza mide
MW: 292.335 | Formula: C17H16N4O
H donors: 1 H acceptors: 3 LogP: 2.91 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1CCc1ccccc1)Nn1cnnc1
InChi: 1S/C17H16N4O/c22-17(20-21-12-18-19-13-21)16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,20,22)
InChiKey: NJDHORNTVNJURI-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

2-(2-phenylethyl)-N-4H-1,2,4-triazol-4-ylbenzamide
MLS000052437
SMR000081832
ZINC01064934

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Theileria parva	hypothetical 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	DNA-(apurinic or apyrimidinic site) lyase 2, putative	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
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	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
Toxoplasma gondii	exonuclease III APE	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
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	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
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	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
Schistosoma mansoni	ap endonuclease	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
Leishmania major	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
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	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
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	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
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	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
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	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
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	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
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family 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
Treponema pallidum	exodeoxyribonuclease (exoA)	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
Plasmodium yoelii	putative AP endonuclease-related	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
Loa Loa (eye worm)	MH2 domain-containing protein	0.024	0.4919	0.5065
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0326	0.433
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0248	0.0255
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0997	0.1026
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0248	0.0296
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0191	0.0191
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0248	0.0397
Echinococcus granulosus	tumor protein p63	0.033	0.6831	0.6831
Schistosoma mansoni	ap endonuclease	0.0023	0.0326	0.0393
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0626	0.0644
Echinococcus multilocularis	lamin dm0	0.0026	0.0403	0.0403
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0626	0.0956
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0626	0.0956
Trichomonas vaginalis	esterase, putative	0.0037	0.0626	0.105
Echinococcus multilocularis	GPCR, family 2	0.0017	0.021	0.021
Schistosoma mansoni	cpg binding protein	0.003	0.0473	0.057
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0029	0.0029
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0123	0.0784
Toxoplasma gondii	aldehyde dehydrogenase	0.0065	0.1231	0.5973
Schistosoma mansoni	lamin	0.0026	0.0403	0.0485
Schistosoma mansoni	hypothetical protein	0.0017	0.021	0.0253
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Brugia malayi	NAD-dependent malic enzyme, mitochondrial precursor, putative	0.0011	0.0078	0.008
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0651	0.1094
Onchocerca volvulus		0.0028	0.0439	0.506
Brugia malayi	RNA binding protein	0.0127	0.2527	0.2602
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.021	0.021
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0191	0.023
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0326	0.5
Schistosoma mansoni	cpg binding protein	0.0028	0.0439	0.0529
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0029	0.0029
Loa Loa (eye worm)	MH2 domain-containing protein	0.0016	0.0191	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1257	0.1295
Trypanosoma brucei	unspecified product	0.0019	0.0248	0.296
Onchocerca volvulus	Malic enzyme homolog	0.0011	0.0078	0.0896
Brugia malayi	Inositol-1	0.0038	0.0651	0.0671
Leishmania major	DNA polymerase eta, putative	0.0019	0.0248	0.1472
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0626	0.105
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0403	0.0415
Brugia malayi	follicle stimulating hormone receptor	0.0466	0.9712	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0326	0.433
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0626	0.0644
Echinococcus granulosus	NADP dependent malic enzyme	0.0011	0.0078	0.0078
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0065	0.1231	0.1231
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0626	1
Schistosoma mansoni	hypothetical protein	0.0063	0.1182	0.1424
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0651	1
Loa Loa (eye worm)	glutaminase 2	0.0282	0.5809	0.5981
Echinococcus multilocularis	tumor protein p63	0.033	0.6831	0.6831
Echinococcus granulosus	Smad4	0.0016	0.0191	0.0191
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0626	0.1153
Echinococcus multilocularis	neuropeptide s receptor	0.048	1	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.0651	0.2784
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0248	0.0357
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0626	0.1153
Onchocerca volvulus		0.0026	0.0403	0.4643
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0626	0.0644
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0626	0.105
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0626	0.9552
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0248	0.0255
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0632	0.0651
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Loa Loa (eye worm)	Smad1	0.0016	0.0191	0.0197
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.4707	0.4707
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.0326	0.0433
Echinococcus multilocularis	neuropeptide receptor A26	0.048	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0626	0.0644
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0651	1
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.2527	0.2602
Mycobacterium ulcerans	glutaminase	0.0282	0.5809	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Echinococcus granulosus	dna polymerase eta	0.0019	0.0248	0.0248
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0034	0.0567	0.1029
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0248	0.0298
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0997	0.1026
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0115	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0403	0.0415
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0067	0.1257	0.1515
Brugia malayi	MH1 domain containing protein	0.0009	0.0037	0.0038
Echinococcus granulosus	dnaJ subfamily C 6	0.0063	0.1182	0.1182
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0626	1
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.2527	0.2602
Echinococcus granulosus	cpg binding protein	0.003	0.0473	0.0473
Loa Loa (eye worm)	glutaminase	0.0282	0.5809	0.5981
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0626	0.0754
Trichomonas vaginalis	malic enzyme, putative	0.0011	0.0078	0.0104
Onchocerca volvulus		0.0037	0.0626	0.7207
Loa Loa (eye worm)	nuclear factor I	0.0009	0.0037	0.0038
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.2527	0.2527
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0248	0.1472
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0326	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0439	0.0452
Schistosoma mansoni	ap endonuclease	0.0023	0.0326	0.0393
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0868	0.1046
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0393	0.0404
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0466	0.9712	1
Schistosoma mansoni	hypothetical protein	0.0017	0.021	0.0253
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0144	0.0148
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0191	0.0191
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0248	0.0248
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0626	0.1153
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0115	0.0118
Brugia malayi	NAD-dependent malic enzyme, mitochondrial precursor, putative	0.0011	0.0078	0.008
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.1231	0.2012
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.4707	0.4707
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0626	0.105
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0626	0.1153
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0067	0.1257	0.1515
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.1963	0.2365
Brugia malayi	beta-lactamase	0.0037	0.0626	0.0644
Loa Loa (eye worm)	inositol-1	0.0038	0.0651	0.0671
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0248	0.0397
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0248	0.0248
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0651	0.1094
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.021	0.0216
Echinococcus granulosus	lamin	0.0026	0.0403	0.0403
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.1963	0.2365
Toxoplasma gondii	exonuclease III APE	0.0023	0.0326	0.0995
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0626	0.9552
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0626	0.1153
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0626	0.0644
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0651	0.0784
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0248	0.6836
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Schistosoma mansoni	Smad4	0.0016	0.0191	0.023
Brugia malayi	Smad1	0.0016	0.0191	0.0197
Brugia malayi	TAR-binding protein	0.0127	0.2527	0.2602
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.1231	0.2012
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0626	0.0644
Toxoplasma gondii	melibiase subfamily protein	0.01	0.1963	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0997	0.1026
Echinococcus multilocularis	lamin	0.0026	0.0403	0.0403
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0626	0.9552
Echinococcus granulosus	tar DNA binding protein	0.0127	0.2527	0.2527
Echinococcus granulosus	lamin dm0	0.0026	0.0403	0.0403
Brugia malayi	beta-lactamase family protein	0.0037	0.0626	0.0644
Brugia malayi	MH1 domain containing protein	0.0016	0.0191	0.0197
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0626	0.1153
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0326	0.0326
Onchocerca volvulus		0.0047	0.0837	0.9646
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0632	0.0651
Loa Loa (eye worm)	transcription factor SMAD2	0.024	0.4919	0.5065
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0626	0.1153
Trichomonas vaginalis	malic enzyme, putative	0.0011	0.0078	0.0104
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0191	0.023
Schistosoma mansoni	hypothetical protein	0.0017	0.021	0.0253
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.1105	0.1331
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0067	0.1257	0.2141
Trichomonas vaginalis	inositol monophosphatase, putative	0.0038	0.0651	0.1094
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0997	0.1026
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2527	0.3045
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0651	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0837	0.1009
Brugia malayi	MH1 domain containing protein	0.0016	0.0191	0.0197
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0248	0.0357
Schistosoma mansoni	malic enzyme	0.0011	0.0078	0.0094
Onchocerca volvulus		0.0037	0.0626	0.7207
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0837	0.1009
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0326	0.0336
Brugia malayi	MH2 domain containing protein	0.024	0.4919	0.5065
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0248	0.296
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0326	0.433
Echinococcus granulosus	NADP dependent malic enzyme	0.0011	0.0078	0.0078
Onchocerca volvulus		0.0037	0.0626	0.7207
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0403	0.0415
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0837	0.0862
Trichomonas vaginalis	malic enzyme, putative	0.0011	0.0078	0.0104
Loa Loa (eye worm)	RNA binding protein	0.0127	0.2527	0.2602
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0065	0.1231	0.1231
Trichomonas vaginalis	malic enzyme, putative	0.0011	0.0078	0.0104
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0626	0.0644
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0248	0.1472
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0626	0.105
Schistosoma mansoni	glutaminase	0.0282	0.5809	0.6997
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.1231	0.2012
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0191	0.023
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Echinococcus multilocularis	NADP dependent malic enzyme	0.0011	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0017	0.021	0.0216
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0236	0.4829	1
Loa Loa (eye worm)	NADP-malic enzyme	0.0008	0.0018	0.0018
Toxoplasma gondii	ABC1 family protein	0.0037	0.0626	0.2642
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0248	0.0255
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0248	0.296
Schistosoma mansoni	hypothetical protein	0.0017	0.021	0.0253
Trichomonas vaginalis	malic enzyme, putative	0.0011	0.0078	0.0104
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0626	0.0644
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0326	0.0533
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Echinococcus multilocularis	musashi	0.0026	0.0403	0.0403
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0651	0.0784
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.1963	0.2365
Trypanosoma brucei	unspecified product	0.0013	0.0123	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0104	0.0107
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0065	0.1231	0.2427
Brugia malayi	MH1 domain containing protein	0.0009	0.0037	0.0038
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0626	1
Trichomonas vaginalis	malic enzyme, putative	0.0011	0.0078	0.0104
Brugia malayi	MH2 domain containing protein	0.0016	0.0191	0.0197
Echinococcus granulosus	neuropeptide receptor A26	0.048	1	1
Echinococcus multilocularis	NADP dependent malic enzyme	0.0011	0.0078	0.0078
Schistosoma mansoni	smad	0.0016	0.0191	0.023
Leishmania major	hypothetical protein, conserved	0.0037	0.0626	0.475
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0248	0.0248
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0326	0.2153
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.021	0.021
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0403	0.0415
Loa Loa (eye worm)	hypothetical protein	0.023	0.4707	0.4847
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0626	0.1153
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.0651	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0626	0.0644
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0014	0.0145	0.0175
Brugia malayi	DnaJ domain containing protein	0.0063	0.1182	0.1217
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0248	0.0298
Echinococcus granulosus	GPCR family 2	0.0017	0.021	0.021
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2527	0.3045
Onchocerca volvulus	Malic enzyme homolog	0.0011	0.0078	0.0896
Echinococcus multilocularis	cpg binding protein	0.003	0.0473	0.0473
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.1963	0.2365
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0326	0.1946
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0248	0.296
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0626	0.0626
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0029	0.003
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.1231	0.1483
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Onchocerca volvulus		0.0026	0.0403	0.4643
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.01	0.1963	0.1963
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0123	0.0784
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.021	0.021
Echinococcus multilocularis	NADP dependent malic enzyme	0.0011	0.0078	0.0078
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.1231	0.1483
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0248	0.0296
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0123	0.0784
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0626	0.1153
Schistosoma mansoni	lamin	0.0026	0.0403	0.0485
Brugia malayi	hypothetical protein	0.023	0.4707	0.4847
Onchocerca volvulus		0.0048	0.0868	1
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2527	0.3045
Brugia malayi	intermediate filament protein	0.0026	0.0403	0.0415
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.097	0.4539
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0326	0.5
Schistosoma mansoni	cpg binding protein	0.003	0.0473	0.057
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0326	0.0326
Echinococcus granulosus	dnaJ subfamily B	0.04	0.8301	0.8301
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0868	0.0894
Brugia malayi	glutaminase DH11.1	0.0282	0.5809	0.5981
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0248	0.296
Loa Loa (eye worm)	MH1 domain-containing protein	0.0016	0.0191	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0037	0.0038
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0626	0.0626
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0191	0.0191
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0626	0.0956
Brugia malayi	Melibiase family protein	0.0067	0.1257	0.1295
Trichomonas vaginalis	protein kinase inhibitor, putative	0.0063	0.1182	0.201
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0326	0.0336
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0626	0.0956
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0326	0.0523
Trypanosoma brucei	unspecified product	0.0013	0.0123	0.0784
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0626	0.105
Brugia malayi	MH2 domain containing protein	0.0016	0.0191	0.0197
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2527	0.3045
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0191	0.0191
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0651	0.0651
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0063	0.1182	0.1217
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0439	0.0452
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.0651	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0104	0.0107
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0626	0.1153
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0248	0.296
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0248	0.0298
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0027	0.0028
Mycobacterium ulcerans	lipase LipD	0.0037	0.0626	0.0956
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.01	0.1963	0.1963
Onchocerca volvulus	Malic enzyme homolog	0.0011	0.0078	0.0896
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.01	0.1963	0.1963
Brugia malayi	beta-lactamase family protein	0.0037	0.0626	0.0644
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.0651	0.1001
Echinococcus granulosus	intermediate filament protein	0.0026	0.0403	0.0403
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.021	0.0216
Echinococcus granulosus	smad	0.0016	0.0191	0.0191
Echinococcus multilocularis	smad	0.0016	0.0191	0.0191
Onchocerca volvulus	Malic enzyme homolog	0.0011	0.0078	0.0896
Echinococcus multilocularis	Smad4	0.0016	0.0191	0.0191
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0626	0.0754
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0248	0.296
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0191	0.023
Echinococcus multilocularis	dnaJ subfamily B	0.04	0.8301	0.8301
Echinococcus multilocularis	dnaJ subfamily C 6	0.0063	0.1182	0.1182
Schistosoma mansoni	hypothetical protein	0.0037	0.0632	0.0762
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.021	0.021
Schistosoma mansoni	hypothetical protein	0.04	0.8301	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0651	0.0651
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0248	0.0255
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.2527	0.3045
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.2527	0.2602
Trichomonas vaginalis	glutaminase, putative	0.0282	0.5809	1
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0326	0.0533
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0065	0.1231	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0144	0.0148
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.021	0.0216
Echinococcus granulosus	NADP dependent malic enzyme	0.0011	0.0078	0.0078
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0115	0.0115
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0403	0.0485
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0651	0.4973
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0248	0.0248

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	> 112.219 um	PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)]	ChEMBL.	No reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1432858

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1331999