TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 632.859 | Formula: C35H48N6O3S
H donors: 2 H acceptors: 3 LogP: 4.29 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N1CCC(CC1)N1CCc2c(NC1=O)cccc2)CC1SC(N(C1=O)CCC(C)(C)C)c1ccccc1N1CCNCC1
InChi: 1S/C35H48N6O3S/c1-35(2,3)15-21-41-32(43)30(45-33(41)27-9-5-7-11-29(27)38-22-16-36-17-23-38)24-31(42)39-18-13-26(14-19-39)40-20-12-25-8-4-6-10-28(25)37-34(40)44/h4-11,26,30,33,36H,12-24H2,1-3H3,(H,37,44)
InChiKey: PNVDQUIIGWMJEX-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	calcitonin receptor-like	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	calcitonin receptor-like	461 aa	434 aa	28.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tyrosine-protein kinase fps85d	0.0373	0.3984	0.3984
Onchocerca volvulus		0.0373	0.3984	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Giardia lamblia	Kinase	0.0373	0.3984	0.5
Entamoeba histolytica	protein kinase with ankyrin repeats, putative	0.0373	0.3984	1
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0373	0.3984	0.5
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	serine/threonine kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	hypothetical protein	0.0373	0.3984	0.3984
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0373	0.3984	0.3984
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	serine/threonine kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Onchocerca volvulus		0.0373	0.3984	0.5
Entamoeba histolytica	tyrosin kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Plasmodium falciparum	protein kinase, putative	0.0373	0.3984	1
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0373	0.3984	0.5
Onchocerca volvulus	Tyrosine kinase homolog	0.0373	0.3984	0.5
Trichomonas vaginalis	STE family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Entamoeba histolytica	tyrosin kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	serine/threonine kinase, putative	0.0373	0.3984	1
Leishmania major	protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Trichomonas vaginalis	conserved hypothetical protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Trichomonas vaginalis	conserved hypothetical protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	serine/threonine kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Giardia lamblia	Kinase, NEK	0.0373	0.3984	0.5
Entamoeba histolytica	tyrosin kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Plasmodium falciparum	tyrosine kinase-like protein	0.0373	0.3984	1
Leishmania major	protein kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0373	0.3984	1
Trypanosoma cruzi	protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	serine/threonine kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0373	0.3984	0.5
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	conserved hypothetical protein	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Entamoeba histolytica	serine/threonine kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Plasmodium falciparum	protein kinase, putative	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Schistosoma mansoni	tyrosine protein kinase fes (fps) (ptk group IV)	0.0373	0.3984	0.3984
Onchocerca volvulus		0.0373	0.3984	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	src-type protein tyrosine kinase-related	0.0373	0.3984	0.3984
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Trypanosoma cruzi	protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Schistosoma mansoni	tyrosine-protein kinase fps85d	0.0373	0.3984	0.3984
Schistosoma mansoni	ephrin receptor	0.0373	0.3984	0.3984
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	TK family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Toxoplasma gondii	protein kinase	0.0373	0.3984	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	ephrin receptor	0.0373	0.3984	0.3984
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.0373	0.3984	1
Toxoplasma gondii	protein kinase domain-containing protein	0.0373	0.3984	0.5
Schistosoma mansoni	tyrosine protein kinase	0.0373	0.3984	0.3984
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	ankyrin repeat protein	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Onchocerca volvulus	Tyrosine kinase receptor Cad96Ca homolog	0.0373	0.3984	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Toxoplasma gondii	STE kinase	0.0373	0.3984	0.5
Entamoeba histolytica	receptor protein kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0373	0.3984	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	CAMK family protein kinase	0.0373	0.3984	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0373	0.3984	1
Leishmania major	hypothetical protein, conserved	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Plasmodium vivax	protein kinase, putative	0.0373	0.3984	0.5
Trypanosoma brucei	Flagellum attachment zone protein 20	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Schistosoma mansoni	protein tyrosine kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Giardia lamblia	Kinase, NEK	0.0373	0.3984	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	serine/threonine RGC	0.0373	0.3984	0.3984
Trypanosoma brucei	protein kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	serine/threonine protein kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Plasmodium falciparum	tyrosine kinase-like protein	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Schistosoma mansoni	serine/threonine protein kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0373	0.3984	0.3984
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	serine/threonine protein kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trypanosoma brucei	Pseudokinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	conserved hypothetical protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Trichomonas vaginalis	protein kinase atn1, putative	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Trichomonas vaginalis	conserved hypothetical protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Giardia lamblia	Protein 21.1	0.0373	0.3984	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Trichomonas vaginalis	protein tyrosine kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Onchocerca volvulus		0.0373	0.3984	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Plasmodium falciparum	protein kinase, putative	0.0373	0.3984	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0373	0.3984	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	conserved hypothetical protein	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	hypothetical protein, conserved	0.0373	0.3984	1
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Entamoeba histolytica	receptor protein kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	serine/threonine protein kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	conserved hypothetical protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	tyrosine protein kinase fes (fps) (ptk group IV)	0.0373	0.3984	0.3984
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Entamoeba histolytica	ankyrin repeat protein	0.0373	0.3984	1
Entamoeba histolytica	tyrosin kinase, putative	0.0373	0.3984	1
Entamoeba histolytica	hypothetical protein	0.0373	0.3984	1
Entamoeba histolytica	protein kinase domain containing protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Onchocerca volvulus		0.0373	0.3984	0.5
Entamoeba histolytica	protein kinase, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	tyrosine- protein kinase 2, putative	0.0373	0.3984	1
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0373	0.3984	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Schistosoma mansoni	tyrosine kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	leucine-rich repeat domain-containing protein	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	tyrosine kinase, putative	0.0373	0.3984	1
Schistosoma mansoni	protein kinase	0.0373	0.3984	0.3984
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1
Entamoeba histolytica	protein tyrosine kinase domain-containing protein	0.0373	0.3984	1
Entamoeba histolytica	cysteine surface protein, putative	0.0373	0.3984	1
Trichomonas vaginalis	TKL family protein kinase	0.0373	0.3984	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.033 uM	Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 30 mins followed by CGRP addition measured after 3 hrs by beta-lactamase reporter gene-based FRET assay	ChEMBL.	24405707
Ki (binding)	= 0.001 uM	Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured after 2 hrs by liquid scintillation counting	ChEMBL.	24405707

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: CHEMBL3114489

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1835043