TDR Targets

Basic information

Technical information

TDR Targets ID: 447090
Name: 2-[[2-methyl-4-(4-methylsulfanylphenyl)-3,4-d ihydro-1H-isoquinolin-7-yl]oxy]-4-(piperidin- 1-ylmethyl)-1,3-thiazole
MW: 465.674 | Formula: C26H31N3OS2
H donors: 0 H acceptors: 1 LogP: 5.37 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CSc1ccc(cc1)C1CN(C)Cc2c1ccc(c2)Oc1scc(n1)CN1CCCCC1
InChi: 1S/C26H31N3OS2/c1-28-15-20-14-22(30-26-27-21(18-32-26)16-29-12-4-3-5-13-29)8-11-24(20)25(17-28)19-6-9-23(31-2)10-7-19/h6-11,14,18,25H,3-5,12-13,15-17H2,1-2H3
InChiKey: ISCCKNOQYHJXGM-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-methyl-4-(4-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-4-(1-piperidylmethyl)thiazole
2-[[2-methyl-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-4-(1-piperidylmethyl)thiazole
2-[[2-methyl-4-[4-(methylthio)phenyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-4-(piperidinomethyl)thiazole

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References
Homo sapiens	histamine receptor H3	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
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
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	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
Brugia malayi	Sodium:neurotransmitter symporter family protein	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
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	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
Echinococcus granulosus	serotonin 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 noradrenaline 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
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
Schistosoma mansoni	norepinephrine/norepinephrine transporter	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
Schistosoma mansoni	sodium/chloride dependent 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
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	509 aa	28.3 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Serotonin transporter	630 aa	571 aa	31.2 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	552 aa	41.5 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Serotonin transporter	630 aa	520 aa	36.2 %
Echinococcus granulosus	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	31.8 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Serotonin transporter	630 aa	629 aa	47.1 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Serotonin transporter	630 aa	617 aa	39.4 %
Onchocerca volvulus		Serotonin transporter	630 aa	611 aa	26.4 %
Schistosoma mansoni	sodium/chloride dependent transporter	Serotonin transporter	630 aa	605 aa	37.7 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Serotonin transporter	630 aa	581 aa	40.1 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Serotonin transporter	630 aa	638 aa	25.1 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	solute carrier family 6 (neurotransmitter transporter), member 4	630 aa	574 aa	31.5 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	582 aa	35.2 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Serotonin transporter	630 aa	585 aa	34.2 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Serotonin transporter	630 aa	576 aa	30.9 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.2219	0.1904
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0075	0.4486	0.4486
Giardia lamblia	Hypothetical protein	0.0062	0.352	0.5
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0444	0.0202
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0075	0.4486	0.4486
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.2219	0.2219
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.2219	0.1904
Schistosoma mansoni	sodium/chloride dependent transporter	0.0025	0.078	0.036
Loa Loa (eye worm)	hypothetical protein	0.0144	0.9641	0.9641
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0444	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0048	0.2471	0.2471
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0444	0.0202
Echinococcus granulosus	lamin dm0	0.0027	0.0916	0.0506
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.2219	0.1904
Echinococcus multilocularis	sodium channel protein	0.0036	0.1641	0.1284
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0361	0.0361
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0444	0.0202
Echinococcus granulosus	muscleblind protein	0.0144	0.9641	0.9866
Loa Loa (eye worm)	hypothetical protein	0.0025	0.078	0.078
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0444	0.0202
Plasmodium vivax	prefoldin subunit 6, putative	0.0062	0.352	0.7611
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.2219	0.1904
Plasmodium vivax	amine transporter, putative	0.0025	0.078	0.0831
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.002	0.0444	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0916	0.0916
Echinococcus granulosus	sodium and chloride dependent glycine	0.0025	0.078	0.036
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0075	0.4486	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.078	0.078
Loa Loa (eye worm)	hypothetical protein	0.0144	0.9641	0.9641
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0444	0.0202
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.3103	0.2852
Brugia malayi	intermediate filament protein	0.0027	0.0916	0.0916
Echinococcus multilocularis	muscleblind protein	0.0144	0.9641	0.9866
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0146	0.9766	0.9766
Trypanosoma cruzi	prefoldin subunit, putative	0.0062	0.352	0.7659
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.002	0.0444	0.0202
Echinococcus granulosus	intermediate filament protein	0.0027	0.0916	0.0506
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0444	0.0202
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0075	0.4486	1
Schistosoma mansoni	lamin	0.0027	0.0916	0.0506
Schistosoma mansoni	hypothetical protein	0.0062	0.352	0.33
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0036	0.1641	0.3104
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0025	0.078	0.036
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0075	0.4486	0.4486
Loa Loa (eye worm)	hypothetical protein	0.0025	0.078	0.078
Loa Loa (eye worm)	hypothetical protein	0.0025	0.078	0.078
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0075	0.4486	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0444	0.0202
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0025	0.078	0.036
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0025	0.078	0.036
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0444	0.0202
Brugia malayi	calpain family protein 1	0.0054	0.2923	0.2923
Echinococcus granulosus	sodium and chloride dependent glycine	0.0025	0.078	0.036
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0025	0.078	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0025	0.078	0.0831
Loa Loa (eye worm)	serotonin transporter b	0.0146	0.9766	0.9766
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0025	0.078	0.036
Echinococcus granulosus	sodium channel protein	0.0036	0.1641	0.1284
Loa Loa (eye worm)	hypothetical protein	0.0149	1	1
Loa Loa (eye worm)	calpain	0.002	0.0444	0.0444
Trypanosoma cruzi	prefoldin subunit, putative	0.0062	0.352	0.7659
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0146	0.9766	1
Treponema pallidum	sodium- and chloride- dependent transporter	0.0146	0.9766	0.5
Echinococcus multilocularis	prefoldin subunit 6	0.0062	0.352	0.33
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0916	0.0916
Trypanosoma brucei	antigen, putative	0.002	0.0444	0.0202
Schistosoma mansoni	sodium/chloride dependent transporter	0.0146	0.9766	1
Echinococcus granulosus	prefoldin subunit 6	0.0062	0.352	0.33
Toxoplasma gondii	prefoldin subunit 6, putative	0.0062	0.352	0.7394
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0075	0.4486	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0025	0.078	0.036
Brugia malayi	Muscleblind-like protein	0.0144	0.9641	0.9641
Loa Loa (eye worm)	hypothetical protein	0.0026	0.088	0.088
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2923	0.2923
Loa Loa (eye worm)	hypothetical protein	0.0025	0.078	0.078
Loa Loa (eye worm)	hypothetical protein	0.0025	0.078	0.078
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0075	0.4486	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0444	0.0202
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0025	0.078	0.036
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0075	0.4486	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0025	0.078	0.036
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.2219	0.1904
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0075	0.4486	1
Leishmania major	prefoldin subunit, putative	0.0062	0.352	0.7659
Onchocerca volvulus		0.0146	0.9766	0.9746
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0075	0.4486	0.4486
Loa Loa (eye worm)	hypothetical protein	0.0146	0.9766	0.9766
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0444	0.0202
Loa Loa (eye worm)	calpain family protein 1	0.0054	0.2923	0.2923
Loa Loa (eye worm)	CYP4Cod1	0.0019	0.0361	0.0361
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0361	0.0361
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0916	0.0506
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0075	0.4486	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0025	0.078	0.036
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0146	0.9766	0.9766
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1421	0.1421
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0916	0.0916
Brugia malayi	calpain 7	0.002	0.0444	0.0444
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0025	0.078	0.078
Echinococcus multilocularis	lamin dm0	0.0027	0.0916	0.0506
Echinococcus multilocularis	lamin	0.0027	0.0916	0.0506
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0075	0.4486	1
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0361	0.0361
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0444	0.0202
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.2219	0.1904
Onchocerca volvulus		0.0027	0.0916	0.0148
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0025	0.078	0.078
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0444	0.0202
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0916	0.0916
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0025	0.078	0.078
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0361	0.0361
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0054	0.2923	0.2659
Echinococcus granulosus	lamin	0.0027	0.0916	0.0506
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.2219	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0062	0.352	0.352
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.3103	0.2852
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0444	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0146	0.9766	0.9766
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0075	0.4486	0.4336
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.1116	0.1116
Plasmodium falciparum	prefoldin subunit 6, putative	0.0062	0.352	0.7394
Schistosoma mansoni	lamin	0.0027	0.0916	0.0506
Echinococcus granulosus	serotonin transporter	0.0146	0.9766	1
Onchocerca volvulus		0.0027	0.0916	0.0148
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0025	0.078	0.036
Echinococcus multilocularis	calpain A	0.0056	0.3103	0.2852
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0025	0.078	0.036
Loa Loa (eye worm)	norepinephrine transporter	0.0146	0.9766	0.9766
Echinococcus multilocularis	musashi	0.0027	0.0916	0.0506
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0444	0.0202
Brugia malayi	hypothetical protein	0.0025	0.078	0.078
Echinococcus multilocularis	serotonin transporter	0.0146	0.9766	1
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0056	0.3103	0.2852
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0075	0.4486	1
Loa Loa (eye worm)	calpain family protein 1	0.004	0.1873	0.1873
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0036	0.1641	0.1284
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.2219	0.2219
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0025	0.078	0.036
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0025	0.078	0.036
Echinococcus multilocularis	calpain family protein 1, d	0.004	0.1873	0.1533
Loa Loa (eye worm)	hypothetical protein	0.004	0.1873	0.1873
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0075	0.4486	0.4336
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0075	0.4486	0.4336
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0025	0.078	0.078
Brugia malayi	Cytochrome P450 family protein	0.0029	0.1116	0.1116
Onchocerca volvulus		0.0149	1	1
Trypanosoma brucei	prefoldin subunit, putative	0.0062	0.352	0.7659
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0025	0.078	0.036
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0025	0.078	0.036
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0025	0.078	0.036
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0025	0.078	0.036
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0025	0.078	0.078
Brugia malayi	calpain family protein 1	0.0054	0.2923	0.2923
Onchocerca volvulus		0.0033	0.1421	0.0696
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0019	0.0361	0.5
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0444	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0025	0.078	0.078
Echinococcus multilocularis	muscleblind protein 1	0.0144	0.9641	0.9866
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0025	0.078	0.036
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0025	0.078	0.036
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0444	0.0202
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0056	0.3103	0.2852
Echinococcus granulosus	calpain A	0.0056	0.3103	0.2852
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0025	0.078	0.036
Loa Loa (eye worm)	hypothetical protein	0.0146	0.9766	0.9766
Brugia malayi	KE2 family protein	0.0062	0.352	0.352
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0025	0.078	0.078

Activities

Activity type	Activity value	Assay description	Source	Reference
Kd (functional)	= 7.7	Antagonistic activity at H3 receptor expressed in SKNMC cells assessed as forskolin stimulated cyclic AMP accumulation by functional assay	ChEMBL.	17765543
Ki (binding)	= 4.3 nM	Binding affinity at human SERT	ChEMBL.	17765543
Ki (binding)	= 4.3 nM	Binding affinity at human SERT	ChEMBL.	17765543
Ki (binding)	= 5.2 nM	Binding affinity at rat SERT	ChEMBL.	17765543
Ki (binding)	= 5.2 nM	Binding affinity at rat SERT	ChEMBL.	17765543
Ki (binding)	= 20.7 nM	Binding affinity at human histamine H3	ChEMBL.	17765543
Ki (binding)	= 20.7 nM	Binding affinity at human histamine H3	ChEMBL.	17765543
pA2 (functional)	= 7.7	Antagonistic activity at H3 receptor expressed in SKNMC cells assessed as forskolin stimulated cyclic AMP accumulation by functional assay	ChEMBL.	17765543

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: CHEMBL238054
PubChem: 25119061

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 447090