TDR Targets

Basic information

Technical information

TDR Targets ID: 1499540
Name: N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-1-(2-ph enylethyl)pyrrolidine-3-carboxamide
MW: 424.533 | Formula: C25H32N2O4
H donors: 1 H acceptors: 2 LogP: 3.3 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc(CCNC(=O)C2CC(=O)N(C2)CCc2ccccc2)ccc1OCC
InChi: 1S/C25H32N2O4/c1-3-30-22-11-10-20(16-23(22)31-4-2)12-14-26-25(29)21-17-24(28)27(18-21)15-13-19-8-6-5-7-9-19/h5-11,16,21H,3-4,12-15,17-18H2,1-2H3,(H,26,29)
InChiKey: CNGRGVDFWNGVBP-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

N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)-3-pyrrolidinecarboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-5-keto-1-(2-phenylethyl)pyrrolidine-3-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
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
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	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
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	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 knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K10772 AP endonuclease 2, 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
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	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
Cryptosporidium parvum	conserved hypothetical protein	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
Plasmodium yoelii	putative AP endonuclease-related	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
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox 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
Neospora caninum	hypothetical protein	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
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	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
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	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
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma mansoni	ap endonuclease	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	DNA-(apurinic or apyrimidinic site) lyase 2, 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 tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	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
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
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	ko:K10771 AP endonuclease 1, putative	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
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0283	0.0268
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0085	0.0456	0.0441
Loa Loa (eye worm)	hypothetical protein	0.016	0.0994	0.098
Loa Loa (eye worm)	hypothetical protein	0.016	0.0994	0.098
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Brugia malayi	ecdysteroid receptor	0.016	0.0994	0.0994
Schistosoma mansoni	nuclear receptor	0.0076	0.0392	0.0668
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0283	0.0283
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0034	0.0097	0.0165
Echinococcus multilocularis	ectonucleotide	0.0029	0.0059	0.01
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0399	0.068
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.016	0.0994	0.098
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0076	0.0392	0.0668
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0076	0.0392	0.0668
Brugia malayi	photoreceptor-specific nuclear receptor	0.016	0.0994	0.0994
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0456	0.0441
Onchocerca volvulus		0.0076	0.0392	0.0511
Loa Loa (eye worm)	nuclear hormone receptor	0.0076	0.0392	0.0377
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.016	0.0994	0.1694
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0248	0.0232
Echinococcus multilocularis	thyroid hormone receptor alpha	0.016	0.0994	0.1694
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0844	0.5869	0.5869
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.016	0.0994	0.098
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.016	0.0994	0.1694
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0111	0.0189
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.016	0.0994	0.0994
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0844	0.5869	0.5863
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0076	0.0392	0.0668
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0248	0.0422
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.1424	1	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0111	0.0189
Echinococcus granulosus	FTZ F1 alpha	0.016	0.0994	0.1694
Brugia malayi	nuclear receptor NHR-88	0.0076	0.0392	0.0392
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0111	0.0189
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0034	0.0097	0.0165
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0844	0.5869	0.5869
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0399	0.068
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0029	0.0059	0.01
Brugia malayi	nuclear hormone receptor	0.016	0.0994	0.0994
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.016	0.0994	0.1694
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.016	0.0994	0.1694
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Trichomonas vaginalis	chaperonin, putative	0.0029	0.0062	0.0047
Onchocerca volvulus		0.0286	0.1892	0.311
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0016	0.5
Loa Loa (eye worm)	hypothetical protein	0.016	0.0994	0.098
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.016	0.0994	0.0994
Loa Loa (eye worm)	hypothetical protein	0.016	0.0994	0.098
Schistosoma mansoni	nuclear receptor nhr-48	0.0076	0.0392	0.0668
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.016	0.0994	0.098
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0844	0.5869	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.016	0.0994	0.098
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0085	0.0456	0.0778
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0034	0.0097	0.0097
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0076	0.0392	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0076	0.0392	0.0392
Toxoplasma gondii	exonuclease III APE	0.0023	0.0016	0.0016
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0844	0.5869	0.5863
Brugia malayi	nuclear hormone receptor	0.0076	0.0392	0.0392
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0399	0.0384
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0111	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0097	0.0081
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.016	0.0994	0.0994
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0016	0.0016
Echinococcus granulosus	synaptic glycoprotein sc2	0.0844	0.5869	1
Leishmania major	T-complex protein 1, beta subunit, putative	0.0029	0.0062	0.0062
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0111	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0844	0.5869	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.016	0.0994	0.0994
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.016	0.0994	0.1694
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Echinococcus multilocularis	FTZ F1 alpha	0.016	0.0994	0.1694
Echinococcus granulosus	ectonucleotide	0.0029	0.0059	0.01
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Trichomonas vaginalis	conserved hypothetical protein	0.0844	0.5869	0.5863
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0147	0.0132
Schistosoma mansoni	RAR-like nuclear receptor	0.016	0.0994	0.1694
Schistosoma mansoni	ap endonuclease	0.0023	0.0016	0.0027
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0844	0.5869	1
Echinococcus granulosus	ecdysone induced protein 78C	0.016	0.0994	0.1694
Brugia malayi	Pre-SET motif family protein	0.0251	0.1645	0.1645
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0844	0.5869	0.5863
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0248	0.0422
Brugia malayi	hypothetical protein	0.0076	0.0392	0.0392
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0016	0.0016
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0034	0.0097	0.0165
Loa Loa (eye worm)	hypothetical protein	0.1424	1	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Brugia malayi	nuclear receptor NHR-67	0.0076	0.0392	0.0392
Brugia malayi	Nuclear hormone receptor-like 1	0.0085	0.0456	0.0456
Onchocerca volvulus	Protein ultraspiracle homolog	0.016	0.0994	0.1555
Schistosoma mansoni	retinoic acid receptor RXR	0.016	0.0994	0.1694
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.016	0.0994	0.1694
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0034	0.0097	0.0165
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0076	0.0392	0.0668
Loa Loa (eye worm)	DR-78	0.0076	0.0392	0.0377
Entamoeba histolytica	T-complex protein 1 beta subunit, putative	0.0029	0.0062	0.0047
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0111	0.0111
Brugia malayi	T-complex protein 1, beta subunit	0.0029	0.0062	0.0062
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0016	0.0027
Toxoplasma gondii	t-complex protein beta subunit	0.0029	0.0062	0.0062
Brugia malayi	TAR-binding protein	0.0076	0.0399	0.0399
Brugia malayi	hypothetical protein	0.0085	0.0456	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0456	0.0441
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0248	0.0422
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0399	0.0384
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.016	0.0994	0.098
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0029	0.0062	0.0062
Loa Loa (eye worm)	hypothetical protein	0.016	0.0994	0.098
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0029	0.0062	0.0106
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0844	0.5869	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Schistosoma mansoni	nuclear hormone receptor	0.0076	0.0392	0.0668
Plasmodium vivax	polyprenol reductase, putative	0.0844	0.5869	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.016	0.0994	0.1694
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.1424	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.016	0.0994	0.1694
Plasmodium vivax	SET domain protein, putative	0.0036	0.0111	0.0162
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0076	0.0392	0.0511
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0844	0.5869	1
Mycobacterium ulcerans	hypothetical protein	0.1424	1	1
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0844	0.5869	0.5863
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0844	0.5869	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.016	0.0994	0.1694
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0097	0.0081
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.1424	1	1
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.1424	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.016	0.0994	0.1555
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.1424	1	1
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0029	0.0062	0.0106
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0283	0.0283
Trichomonas vaginalis	chaperonin-60kD, ch60, putative	0.0029	0.0062	0.0047
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0076	0.0392	0.0668
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.1424	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.016	0.0994	0.0994
Giardia lamblia	Synaptic glycoprotein SC2	0.0844	0.5869	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0399	0.068
Brugia malayi	nuclear receptor NHR-88	0.016	0.0994	0.0994
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0844	0.5869	0.5869
Brugia malayi	Nuclear hormone receptor-like 1	0.016	0.0994	0.0994
Brugia malayi	Synaptic glycoprotein SC2	0.0844	0.5869	0.5869
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0844	0.5869	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.016	0.0994	0.0994
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0076	0.0392	0.0668
Echinococcus granulosus	nuclear receptor nhr 48	0.0076	0.0392	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0844	0.5869	0.5863
Schistosoma mansoni	thyroid hormone receptor	0.016	0.0994	0.1694
Giardia lamblia	TCP-1 chaperonin subunit beta	0.0029	0.0062	0.0079
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.016	0.0994	0.0994
Echinococcus granulosus	thyroid hormone receptor alpha	0.0076	0.0392	0.0668
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0076	0.0392	0.0377
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0074	0.0379	0.0379
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0016	0.0016
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.016	0.0994	0.1694
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.016	0.0994	0.0994
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Brugia malayi	nuclear receptor RXR	0.0085	0.0456	0.0456
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.1424	1	1
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0029	0.0062	0.0062
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0076	0.0392	0.0377
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0085	0.0456	0.0778
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.016	0.0994	0.0994
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0844	0.5869	0.5869
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Brugia malayi	nuclear receptor RXR	0.0076	0.0392	0.0392
Schistosoma mansoni	steroid hormone receptor ad4bp	0.016	0.0994	0.1694
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0016	0.5
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0399	0.068
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0844	0.5869	0.5863
Brugia malayi	hypothetical protein	0.0085	0.0456	0.0456
Schistosoma mansoni	zinc finger protein	0.0076	0.0392	0.0668
Brugia malayi	Nuclear hormone receptor E75	0.0076	0.0392	0.0392
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.1892	0.1879
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.016	0.0994	0.0994
Brugia malayi	Pre-SET motif family protein	0.0036	0.0111	0.0111
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.016	0.0994	0.0994
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0029	0.0062	0.0106
Brugia malayi	orphan nuclear receptor NR2E1	0.0076	0.0392	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0248	0.0248
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0147	0.0147
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.016	0.0994	0.1694
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Schistosoma mansoni	coup transcription factor	0.016	0.0994	0.1694
Schistosoma mansoni	hypothetical protein	0.0074	0.0379	0.0645
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.016	0.0994	0.098
Schistosoma mansoni	nuclear receptor	0.0076	0.0392	0.0668
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0399	0.068
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0399	0.0384
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0399	0.068
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0029	0.0062	0.0106
Brugia malayi	hypothetical protein	0.0076	0.0392	0.0392
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0076	0.0392	0.0392
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0248	0.0422
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0097	0.0081
Loa Loa (eye worm)	hypothetical protein	0.016	0.0994	0.098
Brugia malayi	steroid hormone receptor	0.016	0.0994	0.0994
Schistosoma mansoni	thyroid hormone receptor	0.016	0.0994	0.1694
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Echinococcus multilocularis	nuclear receptor nhr 48	0.0076	0.0392	0.0668
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.016	0.0994	0.098
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.016	0.0994	0.1694
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.016	0.0994	0.0994
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.016	0.0994	0.0994
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0076	0.0392	0.0668
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0074	0.0379	0.0364
Onchocerca volvulus		0.0844	0.5869	1
Loa Loa (eye worm)	hypothetical protein	0.016	0.0994	0.098
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.016	0.0994	0.1694
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0101	0.0173
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Brugia malayi	Nuclear hormone receptor-like 1	0.0085	0.0456	0.0456
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0076	0.0392	0.0511
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0111	0.0189
Brugia malayi	RNA binding protein	0.0076	0.0399	0.0399
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0085	0.0456	0.0778
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0016	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0456	0.0441
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0881	0.0867
Onchocerca volvulus		0.0036	0.0111	0.0024
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0881	0.0867
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.016	0.0994	0.1694
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.1645	0.1632
Loa Loa (eye worm)	steroid hormone receptor	0.016	0.0994	0.098
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0076	0.0392	0.0668
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0111	0.0189
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0016	0.0016
Entamoeba histolytica	hypothetical protein	0.0844	0.5869	0.5863
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.016	0.0994	0.1694
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.016	0.0994	0.1694
Loa Loa (eye worm)	T-complex protein 1	0.0029	0.0062	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.1424	1	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0111	0.0095
Plasmodium vivax	T-complex protein 1 subunit beta, putative	0.0029	0.0062	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0844	0.5869	0.5863
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0399	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0456	0.0441
Brugia malayi	ecdysone receptor	0.0076	0.0392	0.0392
Brugia malayi	nuclear hormone receptor family member odr-7	0.0076	0.0392	0.0392
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0016	0.0016
Schistosoma mansoni	ap endonuclease	0.0023	0.0016	0.0027
Onchocerca volvulus		0.016	0.0994	0.1555
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0248	0.0422
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0248	0.0422
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.016	0.0994	0.1694
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Brugia malayi	conserved hypotetical protein	0.0076	0.0392	0.0392
Plasmodium falciparum	polyprenol reductase, putative	0.0844	0.5869	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0076	0.0392	0.0668
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0029	0.0062	0.0106
Schistosoma mansoni	nuclear hormone receptor	0.016	0.0994	0.1694
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0248	0.0422
Schistosoma mansoni	nuclear hormone receptor	0.0076	0.0392	0.0668
Brugia malayi	tailless protein	0.0076	0.0392	0.0392
Brugia malayi	T-complex protein 1, beta subunit	0.0029	0.0062	0.0062
Trichomonas vaginalis	conserved hypothetical protein	0.0844	0.5869	0.5863
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.016	0.0994	0.1694
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0085	0.0456	0.0778
Brugia malayi	Nuclear hormone receptor E75	0.0076	0.0392	0.0392
Onchocerca volvulus		0.0074	0.0379	0.0488
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0034	0.0097	0.0165
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.1424	1	1
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0844	0.5869	0.5863
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0076	0.0392	0.0668
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.016	0.0994	0.0994
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.016	0.0994	0.1694
Onchocerca volvulus	Bile acid receptor homolog	0.016	0.0994	0.1555
Onchocerca volvulus		0.0076	0.0392	0.0511
Echinococcus multilocularis	ecdysone induced protein 78C	0.016	0.0994	0.1694
Loa Loa (eye worm)	hypothetical protein	0.016	0.0994	0.098
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0029	0.0062	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0392	0.0377
Loa Loa (eye worm)	hypothetical protein	0.006	0.0283	0.0268
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0399	0.068
Brugia malayi	MH2 domain containing protein	0.0144	0.0881	0.0881
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0456	0.0441
Schistosoma mansoni	hypothetical protein	0.0041	0.0147	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0059	0.0043
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0029	0.0059	0.01
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0016	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3548 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	0.8437 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.1623 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)	9.285 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

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: CHEMBL1699767

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1499540