TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 340.721 | Formula: C16H9ClN4O3
H donors: 2 H acceptors: 5 LogP: 3.2 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#C/C(=C(\c1ccc(c(c1)[N+](=O)[O-])Cl)/O)/c1nc2c([nH]1)cccc2
InChi: 1S/C16H9ClN4O3/c17-11-6-5-9(7-14(11)21(23)24)15(22)10(8-18)16-19-12-3-1-2-4-13(12)20-16/h1-7,22H,(H,19,20)/b15-10-
InChiKey: MDHFVZWARGLKRX-GDNBJRDFSA-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	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
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
Trichomonas vaginalis	ap 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
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trypanosoma congolense	apurinic/apyrimidinic 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
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	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
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
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
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	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
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
Leishmania braziliensis	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
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	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
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	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
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	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
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	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
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Schistosoma japonicum	ko:K10771 AP endonuclease 1, 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
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	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

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
Brugia malayi	hypothetical protein	0.0006	0.0007	0.0061
Brugia malayi	ecdysteroid receptor	0.0012	0.0043	0.0395
Brugia malayi	hypothetical protein	0.0006	0.001	0.0096
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0043	0.0078
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0081	0.0749
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0081	0.0148
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0043	0.0092
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0043	0.0395
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0018	0.017
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0018	0.017
Echinococcus granulosus	cpg binding protein	0.0037	0.018	0.0387
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0043	0.0078
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0043	0.0078
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0006	0.0007	0.0061
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0018	0.017
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0342	0.3167
Schistosoma mansoni	zinc finger protein	0.0006	0.0007	0.0014
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0043	0.0395
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.0198	0.1082	0.2329
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0102	0.0939
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0043	0.0092
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0018	0.017
Schistosoma mansoni	hypothetical protein	0.0019	0.0081	0.0175
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0102	0.0939
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0043	0.0092
Schistosoma mansoni	ap endonuclease	0.0023	0.0102	0.0219
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0006	0.0007	0.0014
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0102	0.0939
Schistosoma mansoni	hypothetical protein	0.0019	0.0081	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.001	0.0096
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0043	0.0092
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.001	0.0096
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.001	0.0096
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0034	0.0311
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.001	0.0022
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0312	0.2881
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0043	0.0078
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0043	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.001	0.0022
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0043	0.0395
Echinococcus granulosus	thyroid hormone receptor alpha	0.0006	0.0007	0.0014
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0102	0.0102
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0043	0.0395
Loa Loa (eye worm)	DR-78	0.0006	0.0007	0.0061
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0006	0.0007	0.0014
Echinococcus granulosus	UDP N acetylglucosamine dolichyl phosphate	0.0198	0.1082	0.2329
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.4644	0.8503
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0043	0.0395
Brugia malayi	nuclear receptor RXR	0.0006	0.0007	0.0061
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0043	0.0078
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0043	0.0395
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0034	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0395
Trichomonas vaginalis	helicase, putative	0.0008	0.0018	0.017
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0043	0.0092
Brugia malayi	hypothetical protein	0.0006	0.001	0.0096
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0081	0.0175
Schistosoma mansoni	cpg binding protein	0.0037	0.018	0.0387
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0043	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0102	0.0939
Onchocerca volvulus		0.0012	0.0043	0.0395
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0018	0.017
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.0198	0.1082	0.2329
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0043	0.0092
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0034	0.0074
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0043	0.0395
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0043	0.0395
Echinococcus multilocularis	cpg binding protein	0.0037	0.018	0.0329
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0043	0.0395
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0043	0.0078
Entamoeba histolytica	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0198	0.1082	1
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0043	0.0395
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0043	0.0395
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0023	0.0049
Brugia malayi	orphan nuclear receptor NR2E1	0.0006	0.0007	0.0061
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0043	0.0395
Onchocerca volvulus		0.0006	0.0007	0.0061
Brugia malayi	nuclear receptor RXR	0.0006	0.001	0.0096
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0018	0.017
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0395
Schistosoma mansoni	cpg binding protein	0.0035	0.0169	0.0363
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0006	0.0007	0.0012
Brugia malayi	nuclear hormone receptor	0.0006	0.0007	0.0061
Brugia malayi	conserved hypotetical protein	0.0006	0.0007	0.0061
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0043	0.0092
Mycobacterium ulcerans	undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe	0.0198	0.1082	0.099
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0043	0.0395
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0043	0.0092
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0102	0.0939
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0043	0.0092
Brugia malayi	Nuclear hormone receptor E75	0.0006	0.0007	0.0061
Brugia malayi	ecdysone receptor	0.0006	0.0007	0.0061
Onchocerca volvulus		0.0198	0.1082	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0395
Schistosoma mansoni	nuclear receptor nhr-48	0.0006	0.0007	0.0014
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0043	0.0092
Toxoplasma gondii	glycosyl transferase, group 4 family protein	0.0198	0.1082	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0395
Giardia lamblia	UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase	0.0198	0.1082	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0043	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0395
Loa Loa (eye worm)	hypothetical protein	0.006	0.0312	0.2881
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0043	0.0395
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0006	0.0007	0.0014
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0043	0.0092
Echinococcus multilocularis	nuclear receptor nhr 48	0.0006	0.0007	0.0012
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.001	0.0019
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0006	0.0007	0.0012
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0102	0.0939
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0081	0.0175
Schistosoma mansoni	nuclear receptor	0.0006	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0043	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0395
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0006	0.0007	0.0014
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0006	0.0007	0.0014
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0043	0.0395
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0198	0.1082	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0205	0.0441
Mycobacterium tuberculosis	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.1789	1	1
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0169	0.1559
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0102	0.0939
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0018	0.017
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0043	0.0395
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0018	0.017
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0312	0.2881
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0006	0.0007	0.0012
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0102	0.0186
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0006	0.0007	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0395
Schistosoma mansoni	ap endonuclease	0.0023	0.0102	0.0219
Wolbachia endosymbiont of Brugia malayi	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.1789	1	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0205	0.1895
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0043	0.0395
Echinococcus multilocularis	UDP N acetylglucosamine dolichyl phosphate	0.0198	0.1082	0.198
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0018	0.017
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0043	0.0092
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0043	0.0395
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.4644	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0395
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0002	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0006	0.001	0.0096
Brugia malayi	nuclear receptor NHR-88	0.0006	0.0007	0.0061
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0023	0.0049
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0043	0.0092
Mycobacterium ulcerans	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.1789	1	1
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.4644	1
Onchocerca volvulus		0.0006	0.0007	0.0061
Mycobacterium leprae	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.1789	1	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0018	0.017
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0102	0.0102
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0043	0.0395
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0018	0.017
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0043	0.0092
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0006	0.0007	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0006	0.001	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0006	0.001	0.0096
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.001	0.0022
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0043	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0006	0.001	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Brugia malayi	nuclear hormone receptor family member odr-7	0.0006	0.0007	0.0061
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0006	0.0007	0.0061
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0018	0.017
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0018	0.017
Brugia malayi	tailless protein	0.0006	0.0007	0.0061
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0102	0.0939
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0198	0.1082	1
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0018	0.017
Plasmodium vivax	N-acetylglucosamine-1-phosphate transferase, putative	0.0198	0.1082	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0006	0.0007	0.0014
Schistosoma mansoni	coup transcription factor	0.0012	0.0043	0.0092
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0387	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0006	0.001	0.0096
Brugia malayi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.0198	0.1082	1
Brugia malayi	nuclear hormone receptor	0.0012	0.0043	0.0395
Toxoplasma gondii	exonuclease III APE	0.0023	0.0102	0.0939
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0043	0.0092
Plasmodium falciparum	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0198	0.1082	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0023	0.0049
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0043	0.0078
Schistosoma mansoni	hypothetical protein	0.0019	0.0081	0.0175
Schistosoma mansoni	cpg binding protein	0.0037	0.018	0.0387
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0006	0.0007	0.0061
Trypanosoma brucei	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0198	0.1082	1
Leishmania major	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0198	0.1082	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0043	0.0092
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0169	0.1559
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0102	0.0939
Treponema pallidum	phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY)	0.1789	1	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0023	0.0041
Trichomonas vaginalis	glucosaminephosphotransferase, putative	0.0198	0.1082	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0102	0.0939
Echinococcus granulosus	GPCR family 2	0.0019	0.0081	0.0175
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0034	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0198	0.1082	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0018	0.017
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0102	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0081	0.0148
Loa Loa (eye worm)	nuclear hormone receptor	0.0006	0.0007	0.0061
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0102	0.0939
Schistosoma mansoni	hypothetical protein	0.0019	0.0081	0.0175
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0102	0.0939
Brugia malayi	steroid hormone receptor	0.0012	0.0043	0.0395
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0081	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0023	0.0041
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0043	0.0092
Brugia malayi	nuclear receptor NHR-67	0.0006	0.0007	0.0061
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0043	0.0395
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0043	0.0092
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.5462	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0006	0.0007	0.0061
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0205	0.1895
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0043	0.0078
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0043	0.0395
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0043	0.0092
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0006	0.0007	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0006	0.0007	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0081	0.0749
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0081	0.0749
Brugia malayi	Nuclear hormone receptor E75	0.0006	0.0007	0.0061
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0007	0.0014
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0018	0.017
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0043	0.0395
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0043	0.0395
Schistosoma mansoni	nuclear receptor	0.0006	0.0007	0.0014
Echinococcus granulosus	nuclear receptor nhr 48	0.0006	0.0007	0.0014
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0081	0.0749
Onchocerca volvulus		0.0035	0.0169	0.1559
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0018	0.017
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0312	0.2881
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0043	0.0395
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0043	0.0092
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0043	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0007	0.0061
Brugia malayi	hypothetical protein	0.0006	0.0007	0.0061

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.005 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.1961 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	18.526 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)	= 25.1189 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 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

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: CHEMBL1433359

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1321589