TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 379.84 | Formula: C21H18ClN3O2
H donors: 2 H acceptors: 3 LogP: 3.29 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)C(c1ccccc1)NC(=O)CNC(=O)c1ccncc1
InChi: 1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)
InChiKey: BRQGGNFXDOXIBW-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 6 (neurotransmitter transporter, glycine), member 9	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128673	All targets in OG5_128673
Echinococcus multilocularis	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Echinococcus multilocularis	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma japonicum	Sodium-dependent proline transporter, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128673	All targets in OG5_128673
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma japonicum	Sodium- and chloride-dependent glycine transporter 1, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma japonicum	Sodium- and chloride-dependent glycine transporter 1, putative	Get druggable targets OG5_128673	All targets in OG5_128673
Echinococcus granulosus	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128673	All targets in OG5_128673
Echinococcus granulosus	sodium and chloride dependent glycine	Get druggable targets OG5_128673	All targets in OG5_128673

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	serotonin transporter	solute carrier family 6 (neurotransmitter transporter, glycine), member 9	633 aa	616 aa	38.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	uracil phosphoribosyltransferase	0.0022	0.0041	0.0041
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.469
Plasmodium vivax	phosphodiesterase gamma, putative	0.0056	0.0307	0.3031
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0072	0.0434	1
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0056	0.0307	0.4458
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0141	0.098	0.1529
Brugia malayi	RNA binding protein	0.0062	0.0354	0.0354
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0056	0.0307	0.0424
Loa Loa (eye worm)	hypothetical protein	0.1232	0.9561	0.9561
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0141	0.098	0.1529
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0354	0.0538
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0056	0.0307	0.0307
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0019	0.0015	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Schistosoma mansoni	thyroid hormone receptor	0.0158	0.1108	0.1731
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0354	0.0354
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-1	0.0822	0.6331	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0269	0.1984	0.3089
Plasmodium vivax	translation initiation factor 4E, putative	0.0098	0.0639	0.6463
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.0098	0.0639	0.0951
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0098	0.0639	0.0951
Leishmania major	hypothetical protein, conserved	0.0098	0.0639	0.0951
Trypanosoma brucei	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0094	0.0605	0.0896
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E type 5, putative	0.0098	0.0639	0.0951
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0354	0.0538
Treponema pallidum	phosphoribosylpyrophosphate synthetase	0.0022	0.0041	1
Plasmodium falciparum	eukaryotic translation initiation factor 4E, putative	0.0098	0.0639	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0056	0.0307	0.0307
Loa Loa (eye worm)	PDE1B protein	0.0141	0.098	0.098
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0822	0.6331	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0056	0.0307	0.0464
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0822	0.6331	1
Brugia malayi	MH2 domain containing protein	0.0113	0.0753	0.0753
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0354	0.0354
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0354	0.0538
Trypanosoma brucei	hypothetical protein, conserved	0.0056	0.0307	0.0424
Giardia lamblia	Hypothetical protein	0.0098	0.0639	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0056	0.0307	0.0464
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0056	0.0307	0.0464
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0098	0.0639	0.0951
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0056	0.0307	0.0307
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0146	0.1016	0.1585
Loa Loa (eye worm)	MH2 domain-containing protein	0.0113	0.0753	0.0753
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0056	0.0307	0.0464
Echinococcus granulosus	hypoxanthine guanine phosphoribosyltransferase	0.0094	0.0605	0.0934
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0094	0.0605	0.0896
Treponema pallidum	hypothetical protein	0.0022	0.0041	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0096	0.062	0.0958
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-4	0.0098	0.0639	0.0951
Loa Loa (eye worm)	adenine phosphoribosyltransferase	0.0022	0.0041	0.0041
Onchocerca volvulus		0.0031	0.0114	0.0495
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0141	0.098	0.1529
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0094	0.0605	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0307	0.0307
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-1	0.0822	0.6331	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0307	0.0424
Trichomonas vaginalis	conserved hypothetical protein	0.0098	0.0639	0.0951
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0056	0.0307	0.0424
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Trypanosoma cruzi	eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative	0.0098	0.0639	0.0951
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0241	0.1765	0.1765
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0056	0.0307	0.0464
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-3	0.0098	0.0639	0.0951
Schistosoma mansoni	orotidine 5'-phosphate decarboxylase	0.0022	0.0041	0.0041
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0019	0.0015	0.0015
Plasmodium falciparum	phosphodiesterase delta, putative	0.0056	0.0307	0.469
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0146	0.1016	0.1585
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-3	0.0098	0.0639	0.0951
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Brugia malayi	eukaryotic translation initiation factor 4E-1	0.0098	0.0639	0.0639
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0307	0.0424
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0056	0.0307	0.469
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0307	0.0424
Toxoplasma gondii	hypothetical protein	0.0098	0.0639	0.0988
Echinococcus granulosus	eukaryotic translation initiation factor 4E type	0.0098	0.0639	0.0988
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0022	0.0041	0.0041
Schistosoma mansoni	eukaryotic translation initiation factor 4e	0.0822	0.6331	1
Brugia malayi	orotate phosphoribosyltransferase family protein	0.0022	0.0041	0.0041
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.0822	0.6331	1
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0098	0.0639	0.0951
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0354	0.0354
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.014	0.0199
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0056	0.0307	0.0424
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0114	0.0114
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0056	0.0307	0.0424
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Loa Loa (eye worm)	eukaryotic translation initiation factor 4E-1	0.0098	0.0639	0.0639
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0141	0.098	0.1494
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0056	0.0307	0.0424
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0354	0.0538
Brugia malayi	TAR-binding protein	0.0062	0.0354	0.0354
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.014	0.0199
Loa Loa (eye worm)	serotonin transporter b	0.0019	0.0015	0.0015
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0022	0.0041	0.0041
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0354	0.0538
Echinococcus multilocularis	lamin dm0	0.0031	0.0114	0.0158
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0141	0.098	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Schistosoma mansoni	hypothetical protein	0.0146	0.1016	0.1585
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Brugia malayi	Pre-SET motif family protein	0.0035	0.014	0.014
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Wolbachia endosymbiont of Brugia malayi	amidophosphoribosyltransferase	0.0022	0.0041	0.5
Echinococcus multilocularis	uridine 5' monophosphate synthase	0.0022	0.0041	0.0041
Leishmania major	eukaryotic translation initiation factor eIF-4E, putative	0.0822	0.6331	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0056	0.0307	0.0464
Echinococcus multilocularis	tumor protein p63	0.0774	0.5957	0.9408
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0098	0.0639	0.0951
Trypanosoma brucei	hypoxanthine-guanine phosphoribosyltransferase	0.0094	0.0605	0.0896
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.013	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0307	0.0424
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Brugia malayi	translation initiation factor 4E	0.0822	0.6331	0.6331
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Echinococcus multilocularis	adenine phosphoribosyltransferase	0.0022	0.0041	0.0041
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Loa Loa (eye worm)	norepinephrine transporter	0.0019	0.0015	0.0015
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0307	0.0424
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Brugia malayi	intermediate filament protein	0.0031	0.0114	0.0114
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0056	0.0307	0.0464
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.014	0.0199
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0056	0.0307	0.0464
Echinococcus multilocularis	hypoxanthine guanine phosphoribosyltransferase	0.0094	0.0605	0.0934
Leishmania major	eukaryotic translation initiation factor, putative	0.0098	0.0639	0.0951
Echinococcus granulosus	adenine phosphoribosyltransferase	0.0022	0.0041	0.0041
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0096	0.062	0.062
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0141	0.098	0.1529
Leishmania major	eukaryotic translation initiation factor-like protein	0.0822	0.6331	1
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E type 5, putative	0.0098	0.0639	0.0951
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Onchocerca volvulus		0.0113	0.0759	0.3702
Loa Loa (eye worm)	hypothetical protein	0.0031	0.011	0.011
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Giardia lamblia	Translation elongation factor	0.0098	0.0639	1
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0307	0.0424
Onchocerca volvulus		0.0274	0.2027	1
Loa Loa (eye worm)	hypothetical protein	0.1288	1	1
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-4	0.0098	0.0639	0.0951
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.014	0.0199
Mycobacterium tuberculosis	Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor	0.0072	0.0432	0.9964
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0056	0.0307	0.0464
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0056	0.0307	0.0424
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0114	0.0114
Trichomonas vaginalis	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0094	0.0605	0.0896
Onchocerca volvulus		0.0094	0.0605	0.2932
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0056	0.0307	0.0464
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0072	0.0434	1
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.0098	0.0639	0.0951
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0114	0.0114
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0056	0.0307	0.0464
Echinococcus granulosus	hypoxanthine guanine phosphoribosyltransferase	0.0094	0.0605	0.0934
Brugia malayi	Adenine phosphoribosyltransferase	0.0022	0.0041	0.0041
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0354	0.0538
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0056	0.0307	0.469
Giardia lamblia	Guanine phosphoribosyltransferase	0.0094	0.0605	0.9427
Brugia malayi	Phosphoribosyl transferase domain containing protein	0.0094	0.0605	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0096	0.062	0.062
Loa Loa (eye worm)	transcription factor SMAD2	0.0113	0.0753	0.0753
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0056	0.0307	0.469
Leishmania major	hypothetical protein, conserved	0.0056	0.0307	0.0424
Plasmodium vivax	hypothetical protein, conserved	0.0098	0.0639	0.6463
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.3031
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.469
Giardia lamblia	Hypothetical protein	0.0098	0.0639	1
Toxoplasma gondii	orotate phosphoribosyltransferase	0.0022	0.0041	0.0041
Treponema pallidum	adenine phosphoribosyltransferase	0.0022	0.0041	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0141	0.098	0.1529
Plasmodium vivax	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0094	0.0605	0.6108
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0056	0.0307	0.0464
Schistosoma mansoni	cellular tumor antigen P53	0.0113	0.0759	0.1179
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0056	0.0307	0.0424
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0141	0.098	0.1494
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0056	0.0307	0.0464
Wolbachia endosymbiont of Brugia malayi	orotate phosphoribosyltransferase	0.0022	0.0041	0.5
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0056	0.0307	0.0464
Brugia malayi	Pre-SET motif family protein	0.0241	0.1765	0.1765
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0019	0.0015	0.0015
Schistosoma mansoni	thyroid hormone receptor	0.0158	0.1108	0.1731
Onchocerca volvulus	Putative eukaryotic translation initiation factor 4e	0.0098	0.0639	0.3102
Trypanosoma brucei	Eukaryotic translation initiation factor 4E type 5	0.0098	0.0639	0.0951
Onchocerca volvulus	Adenine phosphoribosyltransferase homolog	0.0022	0.0041	0.013
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0019	0.0015	0.0015
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0056	0.0307	0.0307
Trypanosoma cruzi	eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative	0.0098	0.0639	0.0951
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0307	0.0307
Onchocerca volvulus		0.0031	0.0114	0.0495
Mycobacterium leprae	Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho	0.0072	0.0432	0.9964
Giardia lamblia	Hypothetical protein	0.0056	0.0307	0.4458
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0056	0.0307	0.0307
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0114	0.0114
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0354	0.0538
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Echinococcus multilocularis	lamin	0.0031	0.0114	0.0158
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.0434	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0354	0.0354
Toxoplasma gondii	hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT	0.0094	0.0605	0.0934
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0141	0.098	0.1529
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0056	0.0307	0.0464
Echinococcus granulosus	sodium and chloride dependent glycine	0.0096	0.062	0.0958
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Brugia malayi	hypothetical protein	0.0019	0.0015	0.0015
Echinococcus granulosus	eukaryotic translation initiation factor 4E	0.0822	0.6331	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0158	0.1108	0.1731
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.0098	0.0639	0.0951
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.3031
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-1	0.0822	0.6331	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.014	0.0199
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0056	0.0307	0.0464
Toxoplasma gondii	eukaryotic initiation factor-4E, putative	0.0822	0.6331	1
Schistosoma mansoni	lamin	0.0031	0.0114	0.0158
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.014	0.0199
Trichomonas vaginalis	conserved hypothetical protein	0.0098	0.0639	0.0951
Giardia lamblia	hypothetical protein	0.0056	0.0307	0.4458
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0759	0.0759
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0019	0.0015	0.0015
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Trichomonas vaginalis	conserved hypothetical protein	0.0098	0.0639	0.0951
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Echinococcus multilocularis	musashi	0.0031	0.0114	0.0158
Plasmodium vivax	SET domain protein, putative	0.0035	0.014	0.1303
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0307	0.0307
Trichomonas vaginalis	hypothetical protein	0.0098	0.0639	0.0951
Mycobacterium ulcerans	hypoxanthine-guanine phosphoribosyltransferase Hpt	0.0094	0.0605	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0096	0.062	0.0958
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0141	0.098	0.098
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0141	0.098	0.1494
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-4	0.0098	0.0639	0.0951
Toxoplasma gondii	eukaryotic initiation factor-4E, putative	0.0098	0.0639	0.0988
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0056	0.0307	0.0424
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0114	0.0158
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0094	0.0605	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Loa Loa (eye worm)	orotate phosphoribosyltransferase	0.0022	0.0041	0.0041
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Schistosoma mansoni	Adenine phosphoribosyltransferase	0.0022	0.0041	0.0041
Schistosoma mansoni	Adenine phosphoribosyltransferase	0.0022	0.0041	0.0041
Loa Loa (eye worm)	translation initiation factor 4E	0.0822	0.6331	0.6331
Schistosoma mansoni	sodium/chloride dependent transporter	0.0096	0.062	0.0958
Echinococcus multilocularis	eukaryotic translation initiation factor 4E	0.0822	0.6331	1
Brugia malayi	Eukaryotic translation initiation factor 4E type 3, putative	0.0098	0.0639	0.0639
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0098	0.0639	0.0951
Schistosoma mansoni	sodium/chloride dependent transporter	0.0096	0.062	0.0958
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0015	0.0015
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0094	0.0605	0.0934
Leishmania major	eukaryotic translation initiation factor-like	0.0822	0.6331	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0019	0.0015	0.0015
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.0098	0.0639	0.0951
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0056	0.0307	0.0464
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.014	0.0199
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0141	0.098	0.1494
Echinococcus granulosus	lamin	0.0031	0.0114	0.0158
Leishmania major	xanthine phosphoribosyltransferase	0.0094	0.0605	0.0896
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0098	0.0639	0.0951
Trichomonas vaginalis	set domain proteins, putative	0.0274	0.2027	0.3158
Schistosoma mansoni	lamin	0.0031	0.0114	0.0158
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0056	0.0307	0.0464
Giardia lamblia	hypothetical protein	0.0098	0.0639	1
Plasmodium falciparum	hypoxanthine-guanine phosphoribosyltransferase	0.0094	0.0605	0.9451
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0056	0.0307	0.0424
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0822	0.6331	1
Plasmodium falciparum	orotate phosphoribosyltransferase	0.0022	0.0041	0.0419
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0094	0.0605	0.0896
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0056	0.0307	0.0464
Loa Loa (eye worm)	eukaryotic translation initiation factor 4E type 3	0.0098	0.0639	0.0639
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0096	0.062	0.062
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0098	0.0639	0.0951
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0056	0.0307	0.0464
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.0822	0.6331	1
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0094	0.0605	0.0934
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.014	0.0199
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-2	0.0098	0.0639	0.0951
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.0098	0.0639	0.0951
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0307	0.0424
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0056	0.0307	0.0424
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0307	0.0424
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0056	0.0307	0.0464
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0056	0.0307	0.0464
Trypanosoma brucei	hypoxanthine-guanine phosphoribosyltransferase	0.0094	0.0605	0.0896
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0098	0.0639	0.0951
Loa Loa (eye worm)	hypothetical protein	0.0096	0.062	0.062
Leishmania major	hypothetical protein, conserved	0.0056	0.0307	0.0424
Leishmania major	hypoxanthine-guanine phosphoribosyltransferase	0.0094	0.0605	0.0896
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Echinococcus granulosus	lamin dm0	0.0031	0.0114	0.0158
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Echinococcus granulosus	intermediate filament protein	0.0031	0.0114	0.0158
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0056	0.0307	0.0424
Plasmodium vivax	orotate phosphoribosyltransferase, putative	0.0022	0.0041	0.0271
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.007	0.0422	0.0606
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0019	0.0015	0.0015
Echinococcus multilocularis	hypoxanthine guanine phosphoribosyltransferase	0.0094	0.0605	0.0934
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0056	0.0307	0.0464
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0822	0.6331	1
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.0434	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0141	0.098	0.1529
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0056	0.0307	0.0424
Leishmania major	hypothetical protein, conserved	0.0098	0.0639	0.0951
Echinococcus granulosus	sodium and chloride dependent glycine	0.0096	0.062	0.0958
Loa Loa (eye worm)	hypothetical protein	0.0035	0.014	0.014
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0269	0.1984	0.3089
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0269	0.1984	0.3089
Plasmodium falciparum	eukaryotic translation initiation factor 4E	0.0098	0.0639	1
Onchocerca volvulus		0.0035	0.014	0.0625
Echinococcus granulosus	uridine 5' monophosphate synthase	0.0022	0.0041	0.0041
Leishmania major	eukaryotic translation initiation factor 4e, putative	0.0098	0.0639	0.0951
Echinococcus granulosus	tumor protein p63	0.0774	0.5957	0.9408
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0307	0.0424

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 0.2 uM	Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO	ChEMBL.	18805008
EC50 (binding)	> 30 uM	Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO	ChEMBL.	18805008
IC50 (ADMET)	> 50 uM	Inhibition of CYP3A4	ChEMBL.	18805008
IC50 (ADMET)	> 50 uM	Inhibition of CYP2D6	ChEMBL.	18805008
IC50 (ADMET)	> 50 uM	Inhibition of CYP2C9	ChEMBL.	18805008

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: CHEMBL452423

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 953325