TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 485.538 | Formula: C26H27N7O3
H donors: 1 H acceptors: 4 LogP: 3.23 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCC1(OC)CC(C1)n1c(=O)nc(c2c1c1cc(cnc1o2)c1cnn(c1)C)c1ccc(nc1)NC
InChi: 1S/C26H27N7O3/c1-5-26(35-4)9-18(10-26)33-22-19-8-16(17-13-30-32(3)14-17)12-29-24(19)36-23(22)21(31-25(33)34)15-6-7-20(27-2)28-11-15/h6-8,11-14,18H,5,9-10H2,1-4H3,(H,27,28)
InChiKey: BCZSPEANUSIVNQ-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
Human immunodeficiency virus 1	Reverse transcriptase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608
Plasmodium yoelii	integrase-related	Get druggable targets OG5_139608	All targets in OG5_139608
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_139608	All targets in OG5_139608
Trypanosoma congolense	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	polyprotein of retrotransposon Tca8	Reverse transcriptase	259 aa	238 aa	26.5 %
Dictyostelium discoideum	hypothetical protein	Reverse transcriptase	259 aa	226 aa	24.3 %
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	Reverse transcriptase	259 aa	208 aa	26.4 %
Candida albicans	ReverseTranscriptase similar to fruit fly Tom element	Reverse transcriptase	259 aa	244 aa	27.9 %
Dictyostelium discoideum	hypothetical protein	Reverse transcriptase	259 aa	245 aa	25.7 %
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	Reverse transcriptase	259 aa	227 aa	26.4 %
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	Reverse transcriptase	259 aa	227 aa	26.4 %
Dictyostelium discoideum	hypothetical protein	Reverse transcriptase	259 aa	222 aa	22.5 %
Candida albicans	hypothetical protein	Reverse transcriptase	259 aa	223 aa	29.1 %
Trypanosoma congolense	Retroviral aspartyl protease/Reverse transcriptase (RNA-dependent DNA polymerase)/RNase H, putative	Reverse transcriptase	259 aa	237 aa	29.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Brugia malayi	Tyrosine-protein kinase abl-1	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Schistosoma mansoni	tensin-related	0.0395	0.3414	0.3414
Schistosoma mansoni	tyrosine kinase	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.026	0	0.5
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0395	0.3414	0.3414
Schistosoma mansoni	tyrosine kinase	0.0655	1	1
Trypanosoma cruzi	protein kinase, putative	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Brugia malayi	SH2 domain containing protein	0.0395	0.3414	0.3414
Onchocerca volvulus		0.0655	1	1
Trichomonas vaginalis	protein kinase atn1, putative	0.026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0655	1	1
Giardia lamblia	Kinase, NEK	0.026	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.026	0	0.5
Plasmodium vivax	protein kinase, putative	0.026	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0655	1	1
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.026	0	0.5
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0395	0.3414	0.3414
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Echinococcus multilocularis	tyrosine protein kinase shark	0.0655	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0395	0.3414	0.3414
Onchocerca volvulus		0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0395	0.3414	0.3414
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.026	0	0.5
Plasmodium falciparum	tyrosine kinase-like protein	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0655	1	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0395	0.3414	0.3414
Onchocerca volvulus		0.0395	0.3414	0.3414
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0655	1	1
Loa Loa (eye worm)	SH2 domain-containing protein	0.0395	0.3414	0.3414
Plasmodium falciparum	tyrosine kinase-like protein	0.026	0	0.5
Loa Loa (eye worm)	TK/ABL protein kinase	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0655	1	1
Brugia malayi	Variant SH3 domain containing protein	0.0395	0.3414	0.3414
Leishmania major	hypothetical protein, conserved	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0655	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.0395	0.3414	0.3414
Echinococcus granulosus	c src tyrosine kinase	0.0655	1	1
Echinococcus granulosus	signal transduction protein lnk realted	0.0395	0.3414	0.3414
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.0395	0.3414	0.3414
Leishmania major	protein kinase, putative	0.026	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0655	1	1
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Schistosoma mansoni	tensin-related	0.0395	0.3414	0.3414
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0655	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0655	1	1
Schistosoma mansoni	shc transforming protein	0.0395	0.3414	0.3414
Schistosoma mansoni	suppressor of cytokine signaling	0.0395	0.3414	0.3414
Leishmania major	protein kinase, putative	0.026	0	0.5
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0395	0.3414	0.3414
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0395	0.3414	0.3414
Echinococcus granulosus	tyrosine protein kinase shark	0.0655	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0655	1	1
Echinococcus granulosus	SH2 motif	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Schistosoma mansoni	hypothetical protein	0.0395	0.3414	0.3414
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0655	1	1
Schistosoma mansoni	GTPase activating protein	0.0395	0.3414	0.3414
Loa Loa (eye worm)	TK/FER protein kinase	0.0655	1	1
Echinococcus granulosus	expressed conserved protein	0.0395	0.3414	0.3414
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0395	0.3414	0.3414
Onchocerca volvulus		0.0655	1	1
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0395	0.3414	0.3414
Onchocerca volvulus		0.0395	0.3414	0.3414
Echinococcus multilocularis	signal transduction protein lnk realted	0.0395	0.3414	0.3414
Loa Loa (eye worm)	STAT protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.026	0	0.5
Echinococcus multilocularis	tensin	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0395	0.3414	0.3414
Brugia malayi	protein-tyrosine kinase	0.0655	1	1
Schistosoma mansoni	adapter molecule crk	0.0395	0.3414	0.3414
Trichomonas vaginalis	TK family protein kinase	0.026	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0655	1	1
Echinococcus multilocularis	SH2 motif	0.0395	0.3414	0.3414
Echinococcus multilocularis		0.0395	0.3414	0.3414
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.026	0	0.5
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Onchocerca volvulus		0.0395	0.3414	0.3414
Echinococcus granulosus	SH2 motif	0.0395	0.3414	0.3414
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.026	0	0.5
Brugia malayi	hypothetical protein	0.0655	1	1
Brugia malayi	Tensin	0.0395	0.3414	0.3414
Onchocerca volvulus		0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus multilocularis	c src tyrosine kinase	0.0655	1	1
Echinococcus multilocularis	SH2 motif	0.0395	0.3414	0.3414
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0395	0.3414	0.3414
Echinococcus granulosus	tyrosine kinase	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Schistosoma mansoni	tensin	0.0395	0.3414	0.3414
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Schistosoma mansoni	nck2/grb4	0.0395	0.3414	0.3414
Echinococcus multilocularis	SH2 domain containing protein 7	0.0395	0.3414	0.3414
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0655	1	1
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0395	0.3414	0.3414
Toxoplasma gondii	protein kinase domain-containing protein	0.026	0	0.5
Entamoeba histolytica	SH2 domain containing protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0395	0.3414	0.3414
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0395	0.3414	0.3414
Brugia malayi	SH2 domain containing protein	0.0655	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.026	0	0.5
Schistosoma mansoni	tensin	0.0395	0.3414	0.3414
Schistosoma mansoni	SH2A	0.0395	0.3414	0.3414
Echinococcus granulosus	tyrosine kinase	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0655	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0655	1	1
Echinococcus multilocularis	tyrosine kinase	0.0655	1	1
Onchocerca volvulus		0.0395	0.3414	0.3414
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0655	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0655	1	1
Echinococcus multilocularis	NCK adaptor protein	0.0395	0.3414	0.3414
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0395	0.3414	0.3414
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0395	0.3414	0.3414
Brugia malayi	SH2 domain containing protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Schistosoma mansoni	signal transduction protein lnk-related	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Brugia malayi	SH2 domain containing protein	0.0395	0.3414	0.3414
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0395	0.3414	0.3414
Loa Loa (eye worm)	SH2 domain-containing protein	0.0395	0.3414	0.3414
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0655	1	1
Loa Loa (eye worm)	SH2 domain-containing protein	0.0395	0.3414	0.3414
Brugia malayi	Variant SH3 domain containing protein	0.0395	0.3414	0.3414
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0395	0.3414	0.3414
Trichomonas vaginalis	protein tyrosine kinase, putative	0.026	0	0.5
Brugia malayi	SH2 domain containing protein	0.0395	0.3414	0.3414
Brugia malayi	Protein kinase domain containing protein	0.0655	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0655	1	1
Echinococcus granulosus	N chimaerin	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus granulosus	NCK adaptor protein	0.0395	0.3414	0.3414
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.026	0	0.5
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0395	0.3414	0.3414
Echinococcus granulosus	growth factor receptor bound protein 2	0.0395	0.3414	0.3414
Schistosoma mansoni	tyrosine kinase	0.0655	1	1
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Echinococcus multilocularis	N chimaerin	0.0395	0.3414	0.3414
Brugia malayi	Sex muscle abnormal protein 5	0.0395	0.3414	0.3414
Giardia lamblia	Protein 21.1	0.026	0	0.5
Plasmodium falciparum	protein kinase, putative	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Giardia lamblia	Kinase	0.026	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.026	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0655	1	1
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.026	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0395	0.3414	0.3414
Trichomonas vaginalis	conserved hypothetical protein	0.026	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.026	0	0.5
Echinococcus granulosus	SH2 domain containing protein 7	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Onchocerca volvulus		0.0655	1	1
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0395	0.3414	0.3414
Toxoplasma gondii	protein kinase	0.026	0	0.5
Brugia malayi	SH2 domain containing protein	0.0395	0.3414	0.3414
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0655	1	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	STE family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0655	1	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0655	1	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.026	0	0.5
Onchocerca volvulus		0.0655	1	1
Plasmodium falciparum	protein kinase, putative	0.026	0	0.5
Brugia malayi	SH2 domain containing protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trypanosoma brucei	Flagellum attachment zone protein 20	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Onchocerca volvulus		0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0395	0.3414	0.3414
Brugia malayi	Variant SH3 domain containing protein	0.0395	0.3414	0.3414
Schistosoma mansoni	tyrosine kinase	0.0655	1	1
Entamoeba histolytica	protein kinase, putative	0.0395	0.3414	0.3414
Schistosoma mansoni	suppressor of cytokine signaling	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Giardia lamblia	Kinase, NEK	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.0655	1	1
Schistosoma mansoni	vav2	0.0395	0.3414	0.3414
Brugia malayi	SRC-1	0.0655	1	1
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0395	0.3414	0.3414
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0655	1	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0655	1	1
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.026	0	0.5
Schistosoma mansoni	tensin	0.0395	0.3414	0.3414
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Brugia malayi	hypothetical protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Brugia malayi	SH2 domain containing protein	0.0655	1	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0395	0.3414	0.3414
Onchocerca volvulus		0.0655	1	1
Loa Loa (eye worm)	SRC-1	0.0655	1	1
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0395	0.3414	0.3414
Trichomonas vaginalis	AGC family protein kinase	0.026	0	0.5
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0395	0.3414	0.3414
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0395	0.3414	0.3414
Loa Loa (eye worm)	TK/FER protein kinase	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Toxoplasma gondii	STE kinase	0.026	0	0.5
Schistosoma mansoni	hypothetical protein	0.0395	0.3414	0.3414
Loa Loa (eye worm)	TK/FER protein kinase	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	TK protein kinase	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus multilocularis	tensin	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0395	0.3414	0.3414
Echinococcus granulosus	tyrosine protein kinase Srms	0.0655	1	1
Loa Loa (eye worm)	hypothetical protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0655	1	1
Echinococcus multilocularis	SH2 motif	0.0395	0.3414	0.3414
Loa Loa (eye worm)	TK/FER protein kinase	0.0655	1	1
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0395	0.3414	0.3414
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0655	1	1
Plasmodium falciparum	protein kinase, putative	0.026	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0655	1	1
Trypanosoma cruzi	protein kinase, putative	0.026	0	0.5
Echinococcus granulosus	SHC transforming protein 3	0.0395	0.3414	0.3414
Brugia malayi	SH2 domain containing protein	0.0395	0.3414	0.3414
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0655	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.026	0	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0395	0.3414	0.3414
Schistosoma mansoni	tyrosine kinase	0.0655	1	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0395	0.3414	0.3414
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0655	1	1
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0655	1	1
Echinococcus multilocularis	SHC transforming protein 3	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0395	0.3414	0.3414
Plasmodium vivax	tyrosine kinase-like protein, putative	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0655	1	1
Echinococcus granulosus	hypothetical protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus granulosus	tensin	0.0395	0.3414	0.3414
Trypanosoma brucei	Pseudokinase, putative	0.026	0	0.5
Brugia malayi	RhoGAP domain containing protein	0.0395	0.3414	0.3414
Trypanosoma brucei	protein kinase, putative	0.026	0	0.5
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0395	0.3414	0.3414
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0395	0.3414	0.3414
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0395	0.3414	0.3414
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.026	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.026	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.5 nM	Inhibition of HIV1 reverse transcriptase using poly(rA)/oligo(dT)15 as substrate after 60 mins by fluorescence assay	ChEMBL.	23673016
permeability (ADMET)	= 9.7 ucm/s	Permeability from apical to basolateral side of human Caco2 cells at 10 uM after 30 to 90 mins by LC-MS/MS analysis	ChEMBL.	23673016

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: CHEMBL2397588

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1762978