TDR Targets

Basic information

Technical information

TDR Targets ID: 519921
Name: 3-[(1R,2R)-2-(dimethylaminomethyl)-1-methoxyc yclohexyl]phenol
MW: 263.375 | Formula: C16H25NO2
H donors: 1 H acceptors: 1 LogP: 2.76 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CO[C@@]1(CCCC[C@@H]1CN(C)C)c1cccc(c1)O
InChi: 1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,19-3)13-8-6-9-15(18)11-13/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
InChiKey: IHHOPZQJPZTOOA-ZBFHGGJFSA-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

3-[(1R,2R)-2-(dimethylaminomethyl)-1-methoxy-cyclohexyl]phenol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	opioid receptor, mu 1	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 2	617 aa	638 aa	32.5 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 4	630 aa	574 aa	31.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	lysine--tRNA ligase, putative	0.0047	0.0399	0.0399
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0031	0.022	0.0229
Brugia malayi	beta-lactamase	0.0037	0.0294	0.0935
Toxoplasma gondii	transporter, major facilitator family protein	0.0029	0.0201	0.0305
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0201	0.064
Toxoplasma gondii	facilitative glucose transporter GT1	0.0209	0.2253	0.3408
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0294	0.0544
Leishmania major	glucose transporter, lmgt2	0.0065	0.0606	0.8651
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0026	0.016	0.0508
Trypanosoma cruzi	hexose transporter, putative	0.0065	0.0606	0.8651
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0012	0.0038
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0201	0.064
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0201	0.064
Trypanosoma brucei	glucose transporter, putative	0.0065	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Schistosoma mansoni	glucose transport protein	0.0209	0.2253	0.7165
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0082	0.1368
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0064	0.0597	0.0597
Schistosoma mansoni	protein kinase	0.0064	0.0597	0.1898
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0597	0.1898
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Mycobacterium ulcerans	sugar transporter	0.0029	0.0201	0.064
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0064	0.0597	0.0597
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0064	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0065	0.0606	0.1927
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0073	0.0701	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0209	0.2253	0.4174
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.0012	0.0038
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.022	0.0698
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0294	0.0935
Plasmodium falciparum	transporter, putative	0.0031	0.022	0.022
Echinococcus multilocularis	neuropeptide receptor A26	0.0484	0.5399	0.5628
Loa Loa (eye worm)	norepinephrine transporter	0.0182	0.195	0.6202
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0064	0.0597	0.0622
Brugia malayi	Sugar transporter family protein	0.0029	0.0201	0.064
Treponema pallidum	sodium- and chloride- dependent transporter	0.0182	0.195	1
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0047	0.0399	0.5689
Entamoeba histolytica	protein kinase, putative	0.0064	0.0597	1
Giardia lamblia	Sugar-proton symporter	0.0029	0.0201	0.346
Schistosoma mansoni	hypothetical protein	0.0209	0.2253	0.7165
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0029	0.0201	0.064
Leishmania major	hypothetical protein, conserved	0.0029	0.0201	0.2874
Toxoplasma gondii	sugar transporter ST2	0.0029	0.0201	0.0305
Plasmodium vivax	hexose transporter	0.0209	0.2253	0.2253
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0031	0.022	0.0407
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0294	0.113
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Echinococcus granulosus	sodium and chloride dependent glycine	0.0031	0.022	0.0407
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0064	0.0597	0.1105
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0064	0.0597	0.1105
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0082	0.1165
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0063	0.0582	0.1851
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0294	0.0935
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0031	0.022	0.0229
Trypanosoma brucei	glucose transporter, putative	0.0065	0.0606	0.8651
Brugia malayi	glutaminase DH11.1	0.0287	0.3145	1
Plasmodium falciparum	lysine--tRNA ligase	0.0047	0.0399	0.0399
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.022	0.0332
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0082	0.1165
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0082	0.0419
Brugia malayi	lysyl-tRNA synthetase	0.0047	0.0399	0.1268
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0073	0.0701	1
Echinococcus granulosus	solute carrier family 22	0.0029	0.0201	0.0373
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0064	0.0597	0.1898
Trichomonas vaginalis	myo-inositol transporter, putative	0.0029	0.0201	0.064
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.0012	0.0171
Trichomonas vaginalis	glucose transporter, putative	0.0065	0.0606	0.1927
Trypanosoma brucei	glucose transporter, putative	0.0065	0.0606	0.8651
Loa Loa (eye worm)	glutaminase	0.0287	0.3145	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0047	0.0399	0.1268
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0031	0.022	0.5508
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0698
Schistosoma mansoni	serine/threonine protein kinase	0.0064	0.0597	0.1898
Brugia malayi	major facilitator superfamily protein	0.0029	0.0201	0.064
Trypanosoma brucei	glucose transporter, putative	0.0065	0.0606	0.8651
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0047	0.0399	0.1268
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0294	0.0935
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0082	0.0082
Schistosoma mansoni	sodium/chloride dependent transporter	0.0182	0.195	0.6202
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0606	0.1927
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0029	0.0201	0.064
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0338	0.3724	0.3724
Schistosoma mansoni	glucose transport protein	0.0209	0.2253	0.7165
Brugia malayi	Major Facilitator Superfamily protein	0.0029	0.0201	0.064
Echinococcus multilocularis	serotonin transporter	0.0182	0.195	0.2033
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.022	0.0698
Brugia malayi	beta-lactamase family protein	0.0037	0.0294	0.0935
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.022	0.0698
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Echinococcus granulosus	neuropeptide s receptor	0.0484	0.5399	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0852	0.9593	1
Echinococcus granulosus	serotonin transporter	0.0182	0.195	0.3613
Schistosoma mansoni	hypothetical protein	0.0176	0.1871	0.5949
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Loa Loa (eye worm)	hypothetical protein	0.0182	0.195	0.6202
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0294	0.113
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0294	0.0935
Trichomonas vaginalis	sugar transport protein, putative	0.0029	0.0201	0.064
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0606	0.1927
Trichomonas vaginalis	glutaminase, putative	0.0287	0.3145	1
Entamoeba histolytica	protein kinase, putative	0.0064	0.0597	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0082	0.0151
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.022	0.0698
Echinococcus multilocularis	calcium dependent protein kinase	0.006	0.0552	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0209	0.2253	0.2349
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0698
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0031	0.022	0.0698
Trichomonas vaginalis	esterase, putative	0.0037	0.0294	0.0935
Leishmania major	cytochrome p450-like protein	0.0013	0.0012	0.0171
Brugia malayi	beta-lactamase family protein	0.0037	0.0294	0.0935
Chlamydia trachomatis	lysine--tRNA ligase	0.0047	0.0399	1
Giardia lamblia	Lysyl-tRNA synthetase	0.0047	0.0399	0.6849
Onchocerca volvulus		0.0031	0.022	0.0104
Leishmania major	hypothetical protein, conserved	0.0037	0.0294	0.4195
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0029	0.0201	0.0774
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0064	0.0597	0.0622
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0082	0.1165
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0029	0.0201	0.0774
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0698
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0376	0.0392
Mycobacterium ulcerans	glutaminase	0.0287	0.3145	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0065	0.0606	0.8651
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0065	0.0606	0.8651
Toxoplasma gondii	hypothetical protein	0.0031	0.022	0.0332
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0182	0.195	0.6202
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0041	0.0333	0.1059
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.022	0.0698
Trichomonas vaginalis	sugar transporter, putative	0.0065	0.0606	0.1927
Trypanosoma brucei	cytochrome P450, putative	0.0013	0.0012	0.0171
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0029	0.0201	0.0201
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0047	0.0399	0.6849
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.0012	0.0171
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0064	0.0597	0.0597
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0031	0.022	0.0407
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0294	0.113
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0294	0.0935
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0022	0.0119	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0064	0.0597	0.1105
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0063	0.0582	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0082	0.026
Giardia lamblia	Hexose transporter	0.0029	0.0201	0.346
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0031	0.022	0.0407
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0064	0.0597	0.1105
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0031	0.022	0.0229
Brugia malayi	Major Facilitator Superfamily protein	0.0029	0.0201	0.064
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0063	0.0582	0.9752
Toxoplasma gondii	sugar transporter ST3	0.0029	0.0201	0.0305
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0012	0.0038
Brugia malayi	Cam kinase protein 1	0.0064	0.0597	0.1898
Schistosoma mansoni	lysyl-tRNA synthetase	0.0047	0.0399	0.1268
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0029	0.0201	1
Schistosoma mansoni	protein kinase	0.0064	0.0597	0.1898
Treponema pallidum	prolyl-tRNA synthetase	0.0022	0.0119	0.0609
Leishmania major	protein kinase, putative	0.0064	0.0597	0.8517
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0294	0.0935
Schistosoma mansoni	ap endonuclease	0.0019	0.0082	0.026
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0376	0.1195
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0376	0.0696
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.022	0.0698
Echinococcus granulosus	lysyl tRNA synthetase	0.0047	0.0399	0.0738
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0063	0.0582	0.1851
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0698
Trypanosoma brucei	glucose transporter, putative	0.0065	0.0606	0.8651
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0294	0.113
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0294	0.0935
Echinococcus granulosus	geminin	0.0176	0.1871	0.3466
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0064	0.0597	0.0597
Mycobacterium ulcerans	integral membrane transport protein	0.0029	0.0201	0.064
Schistosoma mansoni	hypothetical protein	0.0176	0.1871	0.5949
Loa Loa (eye worm)	hypothetical protein	0.0182	0.195	0.6202
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Schistosoma mansoni	glucose transport protein	0.0209	0.2253	0.7165
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.0012	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Brugia malayi	Sugar transporter family protein	0.0029	0.0201	0.064
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0294	0.113
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0029	0.0201	0.021
Onchocerca volvulus		0.0037	0.0294	0.0529
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0073	0.0701	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0031	0.022	0.0698
Toxoplasma gondii	hypothetical protein	0.0031	0.022	0.0332
Echinococcus multilocularis	geminin	0.0176	0.1871	0.195
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0031	0.022	0.0698
Plasmodium vivax	amine transporter, putative	0.0031	0.022	0.022
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0063	0.0582	0.1078
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0294	0.113
Loa Loa (eye worm)	sugar transporter	0.0029	0.0201	0.064
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0031	0.022	0.0698
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0064	0.0597	0.0903
Echinococcus multilocularis	solute carrier family 22	0.0029	0.0201	0.021
Schistosoma mansoni	sugar transporter	0.0029	0.0201	0.064
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0029	0.0201	0.0373
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0063	0.0582	0.1851
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0031	0.022	0.0698
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0031	0.022	0.0229
Plasmodium falciparum	hexose transporter	0.0209	0.2253	0.2253
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.022	0.0332
Schistosoma mansoni	sugar transporter	0.0029	0.0201	0.064
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0082	0.026
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0031	0.022	0.0332
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0182	0.195	0.6202
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0064	0.0597	0.0903
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0294	0.4195
Onchocerca volvulus		0.0037	0.0294	0.0529
Plasmodium vivax	proline--tRNA ligase, putative	0.0073	0.0701	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0294	0.0935
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0065	0.0606	0.8651
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0064	0.0597	0.0597
Plasmodium falciparum	amino acid transporter, putative	0.0031	0.022	0.022
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0209	0.2253	0.4174
Schistosoma mansoni	glucose transporter	0.0029	0.0201	0.064
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0064	0.0597	0.1898
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0082	0.026
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0376	0.0392
Toxoplasma gondii	ABC1 family protein	0.0037	0.0294	0.0445
Echinococcus granulosus	solute carrier family 22	0.0029	0.0201	0.0373
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0376	0.1195
Trypanosoma cruzi	glucose transporter, putative	0.0029	0.0201	0.2874
Giardia lamblia	Prolyl-tRNA synthetase	0.0063	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.195	0.6202
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0209	0.2253	0.2349
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0073	0.0701	0.106
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Echinococcus granulosus	solute carrier family 22	0.0029	0.0201	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0582	0.1851
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0064	0.0597	0.0597
Trypanosoma cruzi	hexose transporter, putative	0.0035	0.027	0.386
Trichomonas vaginalis	sugar transporter, putative	0.0065	0.0606	0.1927
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Entamoeba histolytica	hypothetical protein	0.0047	0.0399	0.6679
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.024	0.2602	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0182	0.195	0.6202
Trypanosoma cruzi	hexose transporter	0.0065	0.0606	0.8651
Echinococcus granulosus	General substrate transporter	0.018	0.1918	0.3552
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0294	0.4195
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Plasmodium falciparum	protein kinase 7	0.0591	0.6612	0.6612
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Trypanosoma brucei	glucose transporter, putative	0.0065	0.0606	0.8651
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.004	0.0318	0.1223
Echinococcus granulosus	calcium dependent protein kinase	0.006	0.0552	0.1022
Onchocerca volvulus		0.0031	0.022	0.0104
Trypanosoma brucei	glucose transporter, putative	0.0065	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Chlamydia trachomatis	proline--tRNA ligase	0.0022	0.0119	0.2978
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0294	0.0935
Toxoplasma gondii	sugar transporter ST1	0.0029	0.0201	0.0305
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Echinococcus multilocularis	solute carrier family 22	0.0029	0.0201	0.021
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Toxoplasma gondii	protein kinase, putative	0.0591	0.6612	1
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0065	0.0606	0.8651
Trichomonas vaginalis	glucose transporter, putative	0.0029	0.0201	0.064
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0047	0.0399	0.1268
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0031	0.022	0.0407
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0294	0.0306
Loa Loa (eye worm)	serotonin transporter b	0.0182	0.195	0.6202
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0338	0.3724	0.5632
Mycobacterium ulcerans	lipase LipD	0.0037	0.0294	0.0935
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0376	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0399	0.1268
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0209	0.2253	0.4174
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0294	0.0935
Schistosoma mansoni	sugar transporter	0.0029	0.0201	0.064
Trypanosoma brucei	glucose transporter 1E	0.0065	0.0606	0.8651
Leishmania major	myo-inositol/proton symporter (MIT)	0.0029	0.0201	0.2874
Echinococcus multilocularis	neuropeptide s receptor	0.0484	0.5399	0.5628
Trichomonas vaginalis	conserved hypothetical protein	0.0209	0.2253	0.7165
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0064	0.0597	0.0622
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0029	0.0201	0.2874
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Schistosoma mansoni	sodium/chloride dependent transporter	0.0035	0.0265	0.0843
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0082	0.1403
Echinococcus granulosus	synaptic vesicle 2 protein	0.0029	0.0201	0.0373
Leishmania major	lysyl-tRNA synthetase, putative	0.0047	0.0399	0.5689
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Schistosoma mansoni	sugar transporter	0.0029	0.0201	0.064
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0209	0.2253	0.2349
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0294	0.0935
Brugia malayi	hypothetical protein	0.0029	0.0201	0.064
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0064	0.0597	0.0597
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0294	0.0935
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0082	0.0082
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0063	0.0582	0.1851
Echinococcus multilocularis	lysyl tRNA synthetase	0.0047	0.0399	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0582	0.1851
Trichomonas vaginalis	glucose transporter, putative	0.0065	0.0606	0.1927
Loa Loa (eye worm)	CYP4Cod1	0.0013	0.0012	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0698
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.004	0.0318	0.1223
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0294	0.113
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0082	0.0314
Trypanosoma cruzi	hexose transporter, putative	0.0029	0.0201	0.2874
Trypanosoma cruzi	hexose transporter, putative	0.0065	0.0606	0.8651
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0064	0.0597	0.1898
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0294	0.0935
Schistosoma mansoni	protein kinase	0.0064	0.0597	0.1898
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0698
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0082	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0448	0.1423
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Onchocerca volvulus		0.0182	0.195	1
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.004	0.0318	0.5469
Trypanosoma cruzi	sugar transporter, putative	0.0029	0.0201	0.2874
Echinococcus multilocularis	General substrate transporter	0.018	0.1918	0.1999
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0201	0.064
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0073	0.0701	1
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0047	0.0399	0.5689
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0294	0.505
Brugia malayi	major facilitator superfamily protein	0.0029	0.0201	0.064
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0294	0.113
Brugia malayi	Sugar transporter family protein	0.0209	0.2253	0.7165
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0063	0.0582	0.1851
Leishmania major	glucose transporter, lmgt3	0.0065	0.0606	0.8651
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0294	0.0935
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0376	0.1195
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0294	0.0935
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0209	0.2253	0.4174
Plasmodium vivax	sugar transporter, putative	0.0029	0.0201	0.0201
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0029	0.0201	0.064
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0064	0.0597	0.0622
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0294	0.505
Trichomonas vaginalis	CAMK family protein kinase	0.0064	0.0597	0.1898
Leishmania major	glucose transporter, lmgt1	0.0065	0.0606	0.8651
Trypanosoma cruzi	hexose transporter, putative	0.0065	0.0606	0.8651
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0294	0.113
Echinococcus multilocularis	solute carrier family 22	0.0029	0.0201	0.021
Toxoplasma gondii	exonuclease III APE	0.0019	0.0082	0.0124
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0294	0.0935
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0064	0.0597	0.0903
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0294	0.113
Brugia malayi	Major Facilitator Superfamily protein	0.0029	0.0201	0.064
Schistosoma mansoni	glutaminase	0.0287	0.3145	1
Echinococcus multilocularis	solute carrier family 22	0.0029	0.0201	0.021
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0698
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0376	0.1195
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0029	0.0201	0.021
Trypanosoma brucei	glucose transporter 2A	0.0065	0.0606	0.8651
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0029	0.0201	0.064
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0064	0.0597	0.8517
Trypanosoma brucei	glucose transporter, putative	0.0065	0.0606	0.8651
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0082	0.026
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0073	0.0701	1
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Brugia malayi	hypothetical protein	0.0031	0.022	0.0698
Trypanosoma brucei	sugar transporter, putative	0.0029	0.0201	0.2874
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0031	0.022	0.0229
Echinococcus granulosus	neuropeptide receptor A26	0.0484	0.5399	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0047	0.0399	0.1268
Onchocerca volvulus		0.0031	0.022	0.0104
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0082	0.4055
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0029	0.0201	0.064
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0294	0.0294
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Echinococcus granulosus	solute carrier family 22	0.0029	0.0201	0.0373
Brugia malayi	hypothetical protein	0.0029	0.0201	0.064
Toxoplasma gondii	lysine-tRNA ligase	0.0047	0.0399	0.0603
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0376	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0294	0.0935
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0082	0.1165
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0063	0.0582	0.0607
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0064	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0029	0.0201	0.064
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0201	0.064
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0338	0.3724	0.3724
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0031	0.022	0.0698
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0201	0.064
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0031	0.022	0.0698
Echinococcus granulosus	sodium and chloride dependent glycine	0.0031	0.022	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0294	0.0935
Schistosoma mansoni	sodium/chloride dependent transporter	0.0031	0.022	0.0698
Schistosoma mansoni	ap endonuclease	0.0019	0.0082	0.026
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0294	0.0935
Loa Loa (eye worm)	sugar transporter	0.0209	0.2253	0.7165
Plasmodium falciparum	proline--tRNA ligase	0.0073	0.0701	0.0701
Brugia malayi	hypothetical protein	0.0029	0.0201	0.064
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0013	0.0012	0.0038
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0031	0.022	0.0698
Loa Loa (eye worm)	glutaminase 2	0.0287	0.3145	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0031	0.022	0.0698
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0294	0.4195
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0209	0.2253	0.2349
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0082	0.026
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0294	0.0935
Onchocerca volvulus		0.0037	0.0294	0.0529
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0887	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 56 nM	Binding affinity to mu opioid receptor (unknown origin)	ChEMBL.	18242987
IC50 (binding)	= 56 nM	Binding affinity to mu opioid receptor (unknown origin)	ChEMBL.	18242987
IC50 (binding)	= 525 nM	Inhibition of NET (unknown origin) mediated norepinephrine uptake	ChEMBL.	18242987
IC50 (binding)	= 525 nM	Inhibition of NET (unknown origin) mediated norepinephrine uptake	ChEMBL.	18242987
IC50 (binding)	= 10000 nM	Inhibition of SERT (unknown origin) mediated 5-hydroxytryptamine uptake	ChEMBL.	18242987
IC50 (binding)	= 10000 nM	Inhibition of SERT (unknown origin) mediated 5-hydroxytryptamine uptake	ChEMBL.	18242987
Stability (ADMET)	= 98 %	Stability in human liver S9 fraction after 60 mins	ChEMBL.	18242987
Stabilty (ADMET)	= 74 %	Stability in rat liver S9 fraction after 60 mins	ChEMBL.	18242987
Stabilty (ADMET)	= 88 %	Stability in rat liver microsome after 60 mins	ChEMBL.	18242987
Stabilty (ADMET)	= 98 %	Stability in human liver S9 fraction after 60 mins	ChEMBL.	18242987
Stabilty (ADMET)	= 104 %	Stability in human liver microsome after 60 mins	ChEMBL.	18242987

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: CHEMBL270642
PubChem: 9881709

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 519921