TDR Targets

Basic information

Technical information

TDR Targets ID: 27308
Name: 2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-i odoaniline
MW: 384.278 | Formula: C15H17IN2S
H donors: 1 H acceptors: 0 LogP: 3.8 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(Cc1ccccc1Sc1ccc(cc1N)I)C
InChi: 1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
InChiKey: KPKLDBBNSFWOFA-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

2-[2-(dimethylaminomethyl)phenyl]sulfanyl-5-iodo-aniline
2-[[2-(dimethylaminomethyl)phenyl]thio]-5-iodoaniline
[2-[(2-amino-4-iodo-phenyl)thio]benzyl]-dimethyl-amine
2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine
[123I]ADAM

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 3	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 4	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References
Rattus norvegicus	Norepinephrine transporter	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine transporter	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 6 (neurotransmitter transporter), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Sodium:neurotransmitter symporter family 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
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
Echinococcus multilocularis	serotonin 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
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 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
Schistosoma japonicum	Sodium-dependent noradrenaline 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
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		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
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 mansoni	sodium/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 mansoni	norepinephrine/norepinephrine transporter	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
Neospora caninum	sodium-dependent transporter, putative	Norepinephrine transporter	597 aa	507 aa	30.4 %
Loa Loa (eye worm)	hypothetical protein	Norepinephrine transporter	597 aa	551 aa	25.0 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	595 aa	34.0 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.5 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	522 aa	22.0 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	529 aa	41.6 %
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	Norepinephrine transporter	597 aa	579 aa	22.1 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Norepinephrine transporter	597 aa	501 aa	39.7 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 3	620 aa	579 aa	33.2 %
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	Norepinephrine transporter	597 aa	549 aa	41.9 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	534 aa	41.0 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Norepinephrine transporter	597 aa	551 aa	47.4 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Norepinephrine transporter	597 aa	545 aa	41.7 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Norepinephrine transporter	597 aa	513 aa	38.4 %
Plasmodium yoelii	hypothetical protein	Norepinephrine transporter	597 aa	478 aa	19.7 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	579 aa	35.1 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	540 aa	46.3 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	570 aa	38.6 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Norepinephrine transporter	597 aa	569 aa	24.8 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	548 aa	24.8 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Norepinephrine transporter	597 aa	577 aa	34.0 %
Plasmodium vivax	amine transporter, putative	Norepinephrine transporter	597 aa	483 aa	21.1 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	508 aa	32.7 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	554 aa	38.6 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
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	Norepinephrine transporter	597 aa	581 aa	34.6 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.0 %
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
Schistosoma mansoni	tyrosine kinase	0.0164	0.1481	0.1347
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0164	0.1481	0.1347
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0549	0.9292	1
Schistosoma mansoni	tyrosine kinase	0.0231	0.2827	0.2715
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0146	0.1105	0.0965
Toxoplasma gondii	aldo-keto reductase	0.0159	0.1371	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0154	0.0154
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0164	0.1481	0.1347
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0549	0.9292	0.9281
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Leishmania major	aldo-keto reductase-like protein	0.0549	0.9292	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0159	0.1371	0.076
Brugia malayi	protein-tyrosine kinase	0.0146	0.1105	0.0965
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Echinococcus granulosus	aldehyde reductase	0.039	0.6062	0.6001
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0164	0.1481	0.1347
Echinococcus granulosus	hypothetical protein	0.0549	0.9292	0.9281
Brugia malayi	Tyrosine-protein kinase abl-1	0.0129	0.0762	0.0617
Loa Loa (eye worm)	oxidoreductase	0.0549	0.9292	0.9292
Loa Loa (eye worm)	oxidoreductase	0.0549	0.9292	0.9292
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0549	0.9292	0.9281
Mycobacterium tuberculosis	Probable oxidoreductase	0.0549	0.9292	1
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.025	0.3213	0.3107
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0549	0.9292	0.9281
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0549	0.9292	0.9281
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Onchocerca volvulus		0.0549	0.9292	0.9281
Echinococcus multilocularis	aldehyde reductase	0.039	0.6062	0.6001
Echinococcus granulosus	aldo keto reductase	0.0549	0.9292	0.9281
Loa Loa (eye worm)	hypothetical protein	0.0584	1	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0584	1	1
Onchocerca volvulus		0.0549	0.9292	0.9281
Echinococcus granulosus	tyrosine protein kinase HCK	0.0127	0.0719	0.0574
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0129	0.0762	0.0617
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0159	0.1371	0.1236
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0549	0.9292	0.9281
Loa Loa (eye worm)	hypothetical protein	0.0584	1	1
Echinococcus multilocularis	aldo keto reductase	0.0549	0.9292	0.9281
Loa Loa (eye worm)	TK protein kinase	0.0146	0.1105	0.1105
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0154	0.0154
Entamoeba histolytica	aldose reductase, putative	0.0549	0.9292	1
Giardia lamblia	Aldose reductase	0.0549	0.9292	0.5
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0127	0.0719	0.0574
Echinococcus multilocularis	aldo keto reductase	0.0549	0.9292	0.9281
Onchocerca volvulus		0.0549	0.9292	0.9281
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0164	0.1481	0.1347
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0164	0.1481	0.1347
Entamoeba histolytica	aldose reductase, putative	0.0549	0.9292	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0164	0.1481	0.1347
Trypanosoma brucei	aldo-keto reductase, putative	0.0549	0.9292	1
Loa Loa (eye worm)	TK protein kinase	0.0127	0.0719	0.0719
Trichomonas vaginalis	aldo/keto reductase, putative	0.0549	0.9292	1
Plasmodium vivax	aldehyde reductase, putative	0.0159	0.1371	1
Toxoplasma gondii	aldose reductase, putative	0.0549	0.9292	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0549	0.9292	0.9281
Loa Loa (eye worm)	norepinephrine transporter	0.0584	1	1
Loa Loa (eye worm)	oxidoreductase	0.0549	0.9292	0.9292
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Onchocerca volvulus		0.0584	1	1
Echinococcus granulosus	serotonin transporter	0.0584	1	1
Loa Loa (eye worm)	oxidoreductase	0.0549	0.9292	0.9292
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0154	0.0154
Echinococcus granulosus	aldo keto reductase	0.0549	0.9292	0.9281
Onchocerca volvulus		0.0549	0.9292	0.9281
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0141	0.0997	0.0856
Echinococcus granulosus	tyrosine protein kinase Blk	0.0146	0.1105	0.0965
Onchocerca volvulus		0.0549	0.9292	0.9281
Echinococcus granulosus	tyrosine kinase	0.0146	0.1105	0.0965
Trypanosoma brucei	prostaglandin f synthase	0.0549	0.9292	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0159	0.1371	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.025	0.3213	0.3213
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Leishmania major	prostaglandin f synthase, putative	0.0549	0.9292	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0549	0.9292	0.9281
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0549	0.9292	1
Schistosoma mansoni	potassium channel beta	0.0159	0.1371	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0154	0.0154
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0164	0.1481	0.1347
Brugia malayi	SRC-1	0.0164	0.1481	0.1347
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0159	0.1371	0.1332
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0164	0.1481	0.1347
Loa Loa (eye worm)	SRC-1	0.0164	0.1481	0.1481
Onchocerca volvulus		0.0549	0.9292	0.9281
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0164	0.1481	0.1347
Echinococcus granulosus	voltage gated potassium channel subunit	0.0159	0.1371	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0584	1	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0164	0.1481	0.1347
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0159	0.1371	0.076
Loa Loa (eye worm)	oxidoreductase	0.0549	0.9292	0.9292
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Schistosoma mansoni	aldo-keto reductase	0.0549	0.9292	0.9281
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0549	0.9292	0.9281
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Echinococcus granulosus	tyrosine protein kinase ABL1	0.025	0.3213	0.3107
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0164	0.1481	0.1347
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0164	0.1481	0.1347
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0164	0.1481	0.1347
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0146	0.1105	0.0965
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0159	0.1371	0.1236
Plasmodium falciparum	aldehyde reductase, putative	0.0159	0.1371	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0159	0.1371	0.1371
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Schistosoma mansoni	pol-related	0.0549	0.9292	0.9281
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0164	0.1481	0.1347
Loa Loa (eye worm)	serotonin transporter b	0.0584	1	1
Echinococcus granulosus	aldo keto reductase	0.0549	0.9292	0.9281
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0549	0.9292	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0584	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0154	0.0154
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0159	0.1371	0.1236
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0549	0.9292	1
Trypanosoma cruzi	aldo-keto reductase	0.0549	0.9292	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Trypanosoma cruzi	aldo/keto reductase, putative	0.0549	0.9292	1
Echinococcus multilocularis	aldo keto reductase	0.0549	0.9292	0.9281
Plasmodium falciparum	aldo-keto reductase, putative	0.0159	0.1371	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0159	0.1371	0.1332
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0164	0.1481	0.1347
Onchocerca volvulus		0.0159	0.1371	0.1236
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0146	0.1105	0.0965
Trichomonas vaginalis	aldo/keto reductase, putative	0.0549	0.9292	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0549	0.9292	0.9281
Trichomonas vaginalis	aldo/keto reductase, putative	0.0549	0.9292	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0099	0.0154	0.0154
Schistosoma mansoni	tyrosine kinase	0.0164	0.1481	0.1347
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0549	0.9292	0.9281
Loa Loa (eye worm)	hypothetical protein	0.0549	0.9292	0.9292
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0549	0.9292	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0584	1	1
Brugia malayi	NADH-dependent xylose reductase	0.0159	0.1371	0.1236
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0099	0.0154	0.5
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0549	0.9292	0.9281
Giardia lamblia	Aldose reductase	0.0549	0.9292	0.5
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0154	0.0154
Entamoeba histolytica	aldose reductase, putative	0.0549	0.9292	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Treponema pallidum	sodium- and chloride- dependent transporter	0.0584	1	0.5
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0164	0.1481	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0154	0.0154
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0549	0.9292	0.9281
Trichomonas vaginalis	aldo-keto reductase, putative	0.0549	0.9292	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0139	0.0969	0.0827
Echinococcus multilocularis	aldo keto reductase	0.0549	0.9292	0.9281
Mycobacterium ulcerans	oxidoreductase	0.0549	0.9292	1
Echinococcus multilocularis	serotonin transporter	0.0584	1	1
Schistosoma mansoni	aldo-keto reductase	0.0549	0.9292	0.9281
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0549	0.9292	0.9281
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0146	0.1105	0.0965
Mycobacterium leprae	Conserved hypothetical protein	0.039	0.6062	0.5922
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0164	0.1481	0.1347
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0549	0.9292	0.9281
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0141	0.0997	0.0856
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0099	0.0154	0.0154
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0549	0.9292	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.01 nM	Binding affinity for serotonin transporter expresed in LCK PK1 cells	ChEMBL.	15456270
Ki (binding)	= 0.01 nM	Binding affinity for serotonin transporter expresed in LCK PK1 cells	ChEMBL.	15456270
Ki (binding)	= 0.01 nM	Inhibition of [125I]IPT uptake at SERT (unknown origin) expressed in LLC-PK1 cell membranes	ChEMBL.	23265880
Ki (binding)	= 0.013 nM	Displacement of [3H]-citalopram from rat cortical serotonin transporter (SERT)	ChEMBL.	11859009
Ki (binding)	= 0.013 nM	In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand	ChEMBL.	12361398
Ki (binding)	= 0.013 nM	In vitro inhibition of [3H]-citalopram binding to human serotonin transporter expressed in human HEK-293 cells	ChEMBL.	15974579
Ki (binding)	= 0.013 nM	Displacement of [3H]-citalopram from rat cortical serotonin transporter (SERT)	ChEMBL.	11859009
Ki (binding)	= 0.013 nM	In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand	ChEMBL.	12361398
Ki (binding)	= 0.013 nM	In vitro inhibition of [3H]-citalopram binding to human serotonin transporter expressed in human HEK-293 cells	ChEMBL.	15974579
Ki (binding)	= 0.4 nM	Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane	ChEMBL.	11881994
Ki (binding)	= 0.4 nM	Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane	ChEMBL.	11881994
Ki (binding)	= 1.07 nM	In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells	ChEMBL.	15801845
Ki (binding)	= 1.07 nM	In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells	ChEMBL.	15801845
Ki (binding)	= 683 nM	Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates	ChEMBL.	11881994
Ki (binding)	= 683 nM	Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates	ChEMBL.	11881994
Ki (binding)	= 699 nM	In vitro binding affinity of the compound in LLC-PK1 cells by Dopamine transporter binding assay by using [125I]-IPT as a radioligand	ChEMBL.	12361398
Ki (binding)	= 699 nM	Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells	ChEMBL.	15456270
Ki (binding)	= 699 nM	In vitro inhibition of [3H]-nisoxetine binding to norepinephrine transporter expressed in human kidney cells	ChEMBL.	15974579
Ki (binding)	= 699 nM	In vitro binding affinity of the compound in LLC-PK1 cells by Dopamine transporter binding assay by using [125I]-IPT as a radioligand	ChEMBL.	12361398
Ki (binding)	= 699 nM	Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells	ChEMBL.	15456270
Ki (binding)	= 699 nM	In vitro inhibition of [3H]-nisoxetine binding to norepinephrine transporter expressed in human kidney cells	ChEMBL.	15974579
Ki (binding)	= 840 nM	In vitro binding affinity of the compound in LLC-PK1 cells by Norepinephrin transpoter binding assay by using [125I]-IPT as a radioligand	ChEMBL.	12361398
Ki (binding)	= 840 nM	Binding affinity for dopamine transporter expressed in LCK PK1 cells	ChEMBL.	15456270
Ki (binding)	= 840 nM	In vitro inhibition of [3H]-WIN- 35,428 binding to human dopamine transporter expressed in canine kidney cells	ChEMBL.	15974579
Ki (binding)	= 840 nM	In vitro binding affinity of the compound in LLC-PK1 cells by Norepinephrin transpoter binding assay by using [125I]-IPT as a radioligand	ChEMBL.	12361398
Ki (binding)	= 840 nM	Binding affinity for dopamine transporter expressed in LCK PK1 cells	ChEMBL.	15456270
Ki (binding)	= 840 nM	In vitro inhibition of [3H]-WIN- 35,428 binding to human dopamine transporter expressed in canine kidney cells	ChEMBL.	15974579
Ki (binding)	> 1000 nM	Inhibition of [3H]-GBR-12,935 binding to dopamine transporter (DAT) of rat striatal membranes	ChEMBL.	11881994
Ki (binding)	> 1000 nM	Inhibition of [3H]-GBR-12,935 binding to dopamine transporter (DAT) of rat striatal membranes	ChEMBL.	11881994
Ki (binding)	= 1352 nM	In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells	ChEMBL.	15801845
Ki (binding)	= 1352 nM	In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells	ChEMBL.	15801845
Ki (binding)	> 10000 nM	In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells	ChEMBL.	15801845
Ki (binding)	> 10000 nM	In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells	ChEMBL.	15801845
logP (ADMET)	= 0	Partition coefficient (logP)	ChEMBL.	15974579

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.

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External resources for this compound

ChEMBL: CHEMBL23034
PubChem: 11740717

Bibliographic References

7 literature references were collected for this gene.

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Detailed information for compound 27308