TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 322.376 | Formula: C20H19FN2O
H donors: 2 H acceptors: 1 LogP: 3.28 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1(CNCC1)Cc1ccccc1)c1cc(F)c2c(c1)cc[nH]2
InChi: 1S/C20H19FN2O/c21-17-11-16(10-15-6-8-23-18(15)17)19(24)20(7-9-22-13-20)12-14-4-2-1-3-5-14/h1-6,8,10-11,22-23H,7,9,12-13H2
InChiKey: ZOOYCXCRVKSAIY-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), member 4	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 3	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
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
Schistosoma mansoni	norepinephrine/norepinephrine 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 japonicum	Sodium-dependent dopamine transporter, putative	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
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
Treponema pallidum	sodium- and chloride- dependent 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 japonicum	Sodium-dependent dopamine transporter, putative	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
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
Loa Loa (eye worm)	hypothetical protein	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
Loa Loa (eye worm)	norepinephrine transporter	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
Loa Loa (eye worm)	hypothetical protein	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 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0051	0.066	0.066
Schistosoma mansoni	inositol monophosphatase	0.0081	0.1244	0.2319
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0081	0.1244	0.2212
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0631	0.1175
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.0361	0.0361
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0631	0.0631
Giardia lamblia	GTOR	0.0051	0.066	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0647	0.0647
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0631	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0148	0.256	0.256
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0631	0.1175
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.0969	0.0969
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0065	0.0928	0.0928
Onchocerca volvulus		0.005	0.0631	0.0606
Onchocerca volvulus		0.0043	0.0499	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2915	0.2915
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0081	0.1244	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0499	0.0499
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0631	0.0631
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.0969	0.779
Loa Loa (eye worm)	hypothetical protein	0.005	0.0631	0.0631
Echinococcus granulosus	inositol monophosphatase 1	0.0081	0.1244	0.1244
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0631	0.0631
Schistosoma mansoni	hypothetical protein	0.0036	0.0361	0.0673
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0631	0.1175
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0437	0.0437
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.5366	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0201	0.0002
Brugia malayi	Serotonin receptor	0.0464	0.8733	0.8733
Loa Loa (eye worm)	jmjC domain-containing protein	0.0065	0.0928	0.0928
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0065	0.0928	0.173
Trichomonas vaginalis	esterase, putative	0.0043	0.0499	0.0632
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0499	0.7906
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0499	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0292	0.5366	0.5366
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0631	0.0631
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0631	0.5069
Trypanosoma cruzi	target of rapamycin kinase 3	0.0041	0.0457	0.367
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0325	0.0325
Schistosoma mansoni	survival motor neuron protein	0.0108	0.1771	0.33
Schistosoma mansoni	jumonji domain containing protein	0.0065	0.0928	0.173
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0499	0.0632
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0065	0.0928	0.173
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0113	0.187	0.187
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0499	0.0632
Brugia malayi	hypothetical protein	0.0166	0.2915	0.2915
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0631	0.0631
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0631	0.1175
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0631	0.0631
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0499	0.4008
Onchocerca volvulus		0.0108	0.1771	0.2868
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.5366	0.5366
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0631	0.0631
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0456	0.0542
Brugia malayi	hypothetical protein	0.005	0.0631	0.0631
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.0969	0.779
Schistosoma mansoni	hypothetical protein	0.0077	0.1172	0.2184
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0325	0.2612
Loa Loa (eye worm)	inositol-1	0.0081	0.1244	0.1244
Brugia malayi	hypothetical protein	0.004	0.0437	0.0437
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.0969	0.0969
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0499	0.0499
Trichomonas vaginalis	inositol monophosphatase, putative	0.0081	0.1244	0.2212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0253	0.0111
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0631	0.0631
Onchocerca volvulus		0.0269	0.492	0.9115
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0325	0.0606
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.066	0.0974
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0631	0.1175
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0499	0.0499
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0081	0.1244	1
Onchocerca volvulus		0.0043	0.0499	0.0344
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0024	0.0134	0.1078
Echinococcus multilocularis	lysine specific demethylase 5A	0.0065	0.0928	0.0928
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0456	0.0542
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.5366	0.5366
Loa Loa (eye worm)	hypothetical protein	0.005	0.0631	0.0631
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0113	0.187	0.187
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0499	0.0499
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0631	0.0631
Schistosoma mansoni	hypothetical protein	0.0137	0.2344	0.4369
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0499	0.4008
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0631	0.0631
Schistosoma mansoni	hypothetical protein	0.0036	0.0361	0.0673
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0969	0.1806
Schistosoma mansoni	thyroid hormone receptor	0.0148	0.256	0.477
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0081	0.1244	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0631	0.1175
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0081	0.1244	0.2212
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.5366	0.5366
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0051	0.066	0.066
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0258	0.0123
Schistosoma mansoni	thyroid hormone receptor	0.0148	0.256	0.477
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0969	0.6313
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0631	0.0631
Schistosoma mansoni	hypothetical protein	0.0036	0.0361	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0292	0.5366	0.5366
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0647	0.0647
Echinococcus granulosus	GPCR family 2	0.0036	0.0361	0.0361
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.0361	0.0361
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0201	0.0002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0514	0.0665
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0051	0.066	0.2763
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0631	0.1175
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0051	0.066	0.066
Loa Loa (eye worm)	hypothetical protein	0.005	0.0631	0.0631
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0081	0.1244	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0631	0.1175
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0647	0.0647
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0499	0.0499
Loa Loa (eye worm)	hypothetical protein	0.005	0.0631	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0499	0.0499
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0108	0.1771	0.1771
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0201	0.0002
Echinococcus multilocularis	inositol monophosphatase 1	0.0081	0.1244	0.1244
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0051	0.066	0.5304
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0404	0.0432
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.0361	0.0361
Schistosoma mansoni	hypothetical protein	0.0036	0.0361	0.0673
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0258	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0292	0.5366	0.5366
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0499	0.4008
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0631	0.0631
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0325	0.0606
Brugia malayi	beta-lactamase	0.0043	0.0499	0.0499
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0038	0.0404	0.3249
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0325	0.0325
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.5366	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0325	0.0325
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0081	0.1244	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0051	0.066	0.5304
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0631	0.5
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0081	0.1244	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0361	0.0361
Loa Loa (eye worm)	hypothetical protein	0.005	0.0631	0.0631
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0631	0.5069
Brugia malayi	beta-lactamase family protein	0.0043	0.0499	0.0499
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0113	0.187	0.187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0258	0.0123
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0072	0.1078	0.1287
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0647	0.1206
Echinococcus granulosus	lysine specific demethylase 5A	0.0065	0.0928	0.0928
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0499	0.0499
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0137	0.2344	0.2344
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0051	0.066	0.5304
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0647	0.0647
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0499	0.0632
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0437	0.0437
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0021	0.0077	0.0617
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0325	0.0606
Brugia malayi	jmjC domain containing protein	0.0065	0.0928	0.0928
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1172	0.1172
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0273	0.5005	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0499	0.0929
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0499	0.0499
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0647	0.0647
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0647	0.1206
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.031	0.0233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0456	0.0542
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0065	0.0928	0.0928
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0631	0.0631
Brugia malayi	jmjC domain containing protein	0.0065	0.0928	0.0928
Loa Loa (eye worm)	hypothetical protein	0.005	0.0631	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0113	0.187	0.187
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0051	0.066	0.5304
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0969	0.6313
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0631	0.0631
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.0969	0.1044
Brugia malayi	Inositol-1	0.0081	0.1244	0.1244
Plasmodium vivax	amine transporter, putative	0.005	0.0631	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0041	0.0457	0.367
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0499	0.0632
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.5366	1
Echinococcus multilocularis	GPCR, family 2	0.0036	0.0361	0.0361
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.0361	0.0361
Leishmania major	hypothetical protein, conserved	0.0043	0.0499	0.4008
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0969	0.6313
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0404	0.0432
Onchocerca volvulus		0.0292	0.5366	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0499	0.0499
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0081	0.1244	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.0361	0.0361
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0325	0.0606
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0631	0.0631
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0404	0.0432
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.0361	0.0361
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0404	0.0432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0404	0.0432
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0437	0.0814
Echinococcus granulosus	serotonin transporter	0.0292	0.5366	0.5366
Onchocerca volvulus		0.005	0.0631	0.0606
Schistosoma mansoni	inositol monophosphatase	0.0081	0.1244	0.2319
Toxoplasma gondii	hypothetical protein	0.005	0.0631	0.5069
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0499	0.0929
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0137	0.2344	0.2344
Onchocerca volvulus		0.0166	0.2915	0.5137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0201	0.0002
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0072	0.1078	1
Loa Loa (eye worm)	hypothetical protein	0.0529	1	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0051	0.066	0.2763
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0456	0.0542
Plasmodium falciparum	transporter, putative	0.005	0.0631	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0236	0.4282	0.4282
Onchocerca volvulus		0.0043	0.0499	0.0344
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0631	0.1175
Loa Loa (eye worm)	phosphatidylinositol 3	0.0051	0.066	0.066
Toxoplasma gondii	hypothetical protein	0.005	0.0631	0.5069
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.0361	0.0361
Loa Loa (eye worm)	hypothetical protein	0.005	0.0631	0.0631
Plasmodium vivax	SET domain protein, putative	0.0034	0.0325	0.5153
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0404	0.0432
Brugia malayi	Pre-SET motif family protein	0.0236	0.4282	0.4282
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0631	0.1175
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0301	0.0301
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0499	0.0499
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0051	0.066	0.5304
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0499	0.0632
Onchocerca volvulus		0.005	0.0631	0.0606
Brugia malayi	Pre-SET motif family protein	0.0034	0.0325	0.0325
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0051	0.066	0.5304
Toxoplasma gondii	ABC1 family protein	0.0043	0.0499	0.4008
Echinococcus multilocularis	survival motor neuron protein 1	0.0529	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0631	0.1175
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0647	0.1206
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0332	0.0278
Schistosoma mansoni	hypothetical protein	0.004	0.0437	0.0814
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0051	0.066	0.123
Echinococcus granulosus	survival motor neuron protein 1	0.0529	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0647	0.0647
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0081	0.1244	1
Echinococcus multilocularis	serotonin transporter	0.0292	0.5366	0.5366
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.5366	0.5366
Schistosoma mansoni	hypothetical protein	0.0108	0.1771	0.33
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.066	0.0974
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0969	0.1806
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0499	0.0499
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.066	0.0974
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0456	0.0542
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0325	0.0325
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0631	0.5069
Brugia malayi	latrophilin 2 splice variant baaae	0.0077	0.1172	0.1172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0253	0.0111
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0631	0.0631
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0041	0.0457	0.367
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0631	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0404	0.0432
Trichomonas vaginalis	set domain proteins, putative	0.0269	0.492	1
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0631	0.0631

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 0.07 uM	Inhibition of CYP2D6	ChEMBL.	20691589
IC50 (ADMET)	= 0.08 uM	Inhibition of CYP2D6	ChEMBL.	20691589
IC50 (ADMET)	= 0.34 uM	Inhibition of CYP2D6	ChEMBL.	20691589
Ki (binding)	= 6.7	Inhibition of [3H]serotonin reuptake at serotonin transporter	ChEMBL.	20691589
Ki (binding)	= 6.7	Inhibition of [3H]dopamine reuptake at dopamine transporter	ChEMBL.	20691589
Ki (binding)	= 7.7	Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter	ChEMBL.	20691589
Ki (binding)	= 7.9	Inhibition of [3H]dopamine reuptake at dopamine transporter	ChEMBL.	20691589
Ki (binding)	= 8	Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter	ChEMBL.	20691589
Ki (binding)	= 8.1	Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter	ChEMBL.	20691589
Ki (binding)	= 8.1	Inhibition of [3H]dopamine reuptake at dopamine transporter	ChEMBL.	20691589
Ki (binding)	= 8.2	Inhibition of [3H]serotonin reuptake at serotonin transporter	ChEMBL.	20691589
Ki (binding)	= 8.4	Inhibition of [3H]serotonin reuptake at serotonin transporter	ChEMBL.	20691589

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: CHEMBL1224563

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1171042