TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 453.554 | Formula: C24H27N3O4S
H donors: 1 H acceptors: 4 LogP: 3.01 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(C1)CCCOc1ccc(cc1)C(=O)C1CC1
InChi: 1S/C24H27N3O4S/c25-16-20-4-1-2-5-23(20)32(29,30)26-21-12-14-27(17-21)13-3-15-31-22-10-8-19(9-11-22)24(28)18-6-7-18/h1-2,4-5,8-11,18,21,26H,3,6-7,12-15,17H2/t21-/m0/s1
InChiKey: QFTNRJFCJNHEPW-NRFANRHFSA-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	histamine receptor H2	Starlite/ChEMBL	References
Homo sapiens	histamine receptor H1	Starlite/ChEMBL	References
Rattus norvegicus	Histamine H3 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	amine GPCR	Get druggable targets OG5_128924	All targets in OG5_128924
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Get druggable targets OG5_128924	All targets in OG5_128924
Schistosoma japonicum	Alpha-1D adrenergic receptor, putative	Get druggable targets OG5_128924	All targets in OG5_128924

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	histamine receptor H2	397 aa	333 aa	23.1 %
Echinococcus granulosus	biogenic amine 5HT receptor	Histamine H3 receptor	445 aa	405 aa	25.2 %
Loa Loa (eye worm)	hypothetical protein	Histamine H3 receptor	445 aa	384 aa	22.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.0481	0	0.5
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0686	0.2981	0.2981
Brugia malayi	hypothetical protein	0.0686	0.2981	0.2981
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0481	0	0.5
Brugia malayi	SH2 domain containing protein	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0686	0.2981	0.2981
Schistosoma mansoni	hypothetical protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Echinococcus granulosus	tyrosine protein kinase Srms	0.1167	1	1
Echinococcus granulosus	tensin	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0686	0.2981	0.2981
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	TK protein kinase	0.1167	1	1
Echinococcus granulosus	hypothetical protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0686	0.2981	0.2981
Onchocerca volvulus		0.0686	0.2981	0.2981
Schistosoma mansoni	tyrosine kinase	0.1167	1	1
Loa Loa (eye worm)	hypothetical protein	0.1167	1	1
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.1167	1	1
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0686	0.2981	0.2981
Brugia malayi	SH2 domain containing protein	0.0686	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.1167	1	1
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus granulosus	SH2 motif	0.0686	0.2981	0.2981
Echinococcus multilocularis	N chimaerin	0.0686	0.2981	0.2981
Schistosoma mansoni	tyrosine kinase	0.1167	1	1
Leishmania major	protein kinase, putative	0.0481	0	0.5
Brugia malayi	SH2 domain containing protein	0.0686	0.2981	0.2981
Schistosoma mansoni	tyrosine kinase	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0686	0.2981	0.2981
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0481	0	0.5
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0686	0.2981	0.2981
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0686	0.2981	0.2981
Brugia malayi	RhoGAP domain containing protein	0.0686	0.2981	0.2981
Trichomonas vaginalis	conserved hypothetical protein	0.0481	0	0.5
Brugia malayi	Tyrosine-protein kinase abl-1	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trypanosoma cruzi	protein kinase, putative	0.0481	0	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0686	0.2981	0.2981
Echinococcus multilocularis	SHC transforming protein 3	0.0686	0.2981	0.2981
Echinococcus multilocularis	NCK adaptor protein	0.0686	0.2981	0.2981
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus multilocularis	tensin	0.0686	0.2981	0.2981
Echinococcus granulosus	tyrosine protein kinase Lyn	0.1167	1	1
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0686	0.2981	0.2981
Brugia malayi	SH2 domain containing protein	0.0686	0.2981	0.2981
Schistosoma mansoni	suppressor of cytokine signaling	0.0686	0.2981	0.2981
Trichomonas vaginalis	TK family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0481	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.1167	1	1
Toxoplasma gondii	protein kinase domain-containing protein	0.0481	0	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.1167	1	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0686	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0686	0.2981	0.2981
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.0686	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1167	1	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Brugia malayi	SH2 domain containing protein	0.1167	1	1
Echinococcus granulosus	N chimaerin	0.0686	0.2981	0.2981
Echinococcus granulosus	SHC transforming protein 3	0.0686	0.2981	0.2981
Echinococcus granulosus	tyrosine protein kinase Src42A	0.1167	1	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.1167	1	1
Echinococcus granulosus	SH2 domain containing protein 7	0.0686	0.2981	0.2981
Echinococcus granulosus	SH2 motif	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0481	0	0.5
Schistosoma mansoni	tensin	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus multilocularis	tyrosine kinase	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0481	0	0.5
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.1167	1	1
Echinococcus multilocularis	tensin	0.0686	0.2981	0.2981
Onchocerca volvulus		0.1167	1	1
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Schistosoma mansoni	tensin-related	0.0686	0.2981	0.2981
Brugia malayi	Protein kinase domain containing protein	0.1167	1	1
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.0481	0	0.5
Schistosoma mansoni	tyrosine kinase	0.1167	1	1
Trichomonas vaginalis	STE family protein kinase	0.0481	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.1167	1	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0481	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0481	0	0.5
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0686	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1167	1	1
Echinococcus granulosus	expressed conserved protein	0.0686	0.2981	0.2981
Echinococcus granulosus	tyrosine protein kinase shark	0.1167	1	1
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0686	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Echinococcus granulosus	tyrosine kinase	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Entamoeba histolytica	SH2 domain containing protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Plasmodium falciparum	tyrosine kinase-like protein	0.0481	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.1167	1	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.1167	1	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.1167	1	1
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0686	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1167	1	1
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0686	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0686	0.2981	0.2981
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.1167	1	1
Brugia malayi	Variant SH3 domain containing protein	0.0686	0.2981	0.2981
Echinococcus multilocularis	signal transduction protein lnk realted	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Loa Loa (eye worm)	SH2 domain-containing protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Loa Loa (eye worm)	SH2 domain-containing protein	0.0686	0.2981	0.2981
Schistosoma mansoni	tensin	0.0686	0.2981	0.2981
Schistosoma mansoni	growth factor receptor-bound protein	0.0686	0.2981	0.2981
Echinococcus multilocularis	SH2 motif	0.0686	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Toxoplasma gondii	protein kinase	0.0481	0	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.1167	1	1
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Giardia lamblia	Kinase	0.0481	0	0.5
Trichomonas vaginalis	protein kinase atn1, putative	0.0481	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Echinococcus multilocularis	c src tyrosine kinase	0.1167	1	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.1167	1	1
Echinococcus granulosus	NCK adaptor protein	0.0686	0.2981	0.2981
Echinococcus multilocularis	SH2 domain containing protein 7	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	protein tyrosine kinase, putative	0.0481	0	0.5
Schistosoma mansoni	signal transduction protein lnk-related	0.0686	0.2981	0.2981
Trichomonas vaginalis	CAMK family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trypanosoma brucei	Flagellum attachment zone protein 20	0.0481	0	0.5
Schistosoma mansoni	GTPase activating protein	0.0686	0.2981	0.2981
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0686	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.1167	1	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.1167	1	1
Brugia malayi	SRC-1	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Schistosoma mansoni	tensin	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Onchocerca volvulus		0.0686	0.2981	0.2981
Onchocerca volvulus		0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0481	0	0.5
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0686	0.2981	0.2981
Schistosoma mansoni	nck2/grb4	0.0686	0.2981	0.2981
Leishmania major	protein kinase, putative	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1167	1	1
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0686	0.2981	0.2981
Brugia malayi	Protein kinase domain containing protein	0.1167	1	1
Brugia malayi	SH2 domain containing protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0686	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.1167	1	1
Trypanosoma brucei	Pseudokinase, putative	0.0481	0	0.5
Onchocerca volvulus		0.1167	1	1
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0481	0	0.5
Echinococcus multilocularis	SH2 motif	0.0686	0.2981	0.2981
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0481	0	0.5
Schistosoma mansoni	tensin-related	0.0686	0.2981	0.2981
Onchocerca volvulus		0.0686	0.2981	0.2981
Echinococcus multilocularis	SH2 motif	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Brugia malayi	SH2 domain containing protein	0.1167	1	1
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Brugia malayi	protein-tyrosine kinase	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Schistosoma mansoni	suppressor of cytokine signaling	0.0686	0.2981	0.2981
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.1167	1	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.1167	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Brugia malayi	Sex muscle abnormal protein 5	0.0686	0.2981	0.2981
Onchocerca volvulus		0.1167	1	1
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0686	0.2981	0.2981
Brugia malayi	Protein kinase domain containing protein	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0481	0	0.5
Loa Loa (eye worm)	SH2 domain-containing protein	0.0686	0.2981	0.2981
Schistosoma mansoni	tyrosine kinase	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Schistosoma mansoni	vav2	0.0686	0.2981	0.2981
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.0481	0	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0686	0.2981	0.2981
Echinococcus granulosus	growth factor receptor bound protein 2	0.0686	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.1167	1	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Brugia malayi	hypothetical protein	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Blk	0.1167	1	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.1167	1	1
Brugia malayi	Protein kinase domain containing protein	0.1167	1	1
Schistosoma mansoni	tyrosine kinase	0.1167	1	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.1167	1	1
Echinococcus multilocularis	tyrosine protein kinase shark	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Schistosoma mansoni	SH2A	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Toxoplasma gondii	STE kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0686	0.2981	0.2981
Echinococcus granulosus	c src tyrosine kinase	0.1167	1	1
Onchocerca volvulus		0.1167	1	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.1167	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.1167	1	1
Onchocerca volvulus		0.0686	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Abl	0.1167	1	1
Giardia lamblia	Kinase, NEK	0.0481	0	0.5
Brugia malayi	SH2 domain containing protein	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus granulosus	tyrosine protein kinase ABL1	0.1167	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Onchocerca volvulus		0.1167	1	1
Echinococcus granulosus	tyrosine kinase	0.1167	1	1
Trypanosoma cruzi	protein kinase, putative	0.0481	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0686	0.2981	0.2981
Trichomonas vaginalis	conserved hypothetical protein	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.1167	1	1
Brugia malayi	Tensin	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Plasmodium vivax	protein kinase, putative	0.0481	0	0.5
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.0686	0.2981	0.2981
Onchocerca volvulus		0.1167	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus granulosus	signal transduction protein lnk realted	0.0686	0.2981	0.2981
Schistosoma mansoni	growth factor receptor-bound protein	0.0686	0.2981	0.2981
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0686	0.2981	0.2981
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0686	0.2981	0.2981
Trypanosoma brucei	protein kinase, putative	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Giardia lamblia	Kinase, NEK	0.0481	0	0.5
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0481	0	0.5
Brugia malayi	SH2 domain containing protein	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1167	1	1
Echinococcus multilocularis		0.0686	0.2981	0.2981
Schistosoma mansoni	shc transforming protein	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Loa Loa (eye worm)	STAT protein	0.0686	0.2981	0.2981
Onchocerca volvulus		0.0686	0.2981	0.2981
Schistosoma mansoni	hypothetical protein	0.0686	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1167	1	1
Schistosoma mansoni	adapter molecule crk	0.0686	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0481	0	0.5
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0686	0.2981	0.2981
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0686	0.2981	0.2981
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0686	0.2981	0.2981
Plasmodium falciparum	tyrosine kinase-like protein	0.0481	0	0.5
Leishmania major	hypothetical protein, conserved	0.0481	0	0.5
Giardia lamblia	Protein 21.1	0.0481	0	0.5
Loa Loa (eye worm)	SRC-1	0.1167	1	1
Plasmodium falciparum	protein kinase, putative	0.0481	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 11 nM	Binding affinity against rat histamine H3 receptor	ChEMBL.	12372500
Ki (binding)	= 11 nM	Binding affinity against rat histamine H3 receptor	ChEMBL.	12372500
Ki (binding)	= 710 nM	Binding affinity to the human Histamine H2 receptor	ChEMBL.	12372500
Ki (binding)	= 710 nM	Binding affinity to the human Histamine H2 receptor	ChEMBL.	12372500
Ki (binding)	= 6200 nM	Binding affinity to the human Histamine H1 receptor	ChEMBL.	12372500
Ki (binding)	= 6200 nM	Binding affinity to the human Histamine H1 receptor	ChEMBL.	12372500

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: CHEMBL420108

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 171668