TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 671.869 | Formula: C37H41N3O5S2
H donors: 2 H acceptors: 3 LogP: 6.17 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CCCCSCc1ccc2c(c1)c1c3C(=O)NCc3c3c4c1n2[C@@H]1O[C@](n4c2c3cc(cc2)CSCCCC)([C@@](C1)(O)C(=O)OC)C
InChi: 1S/C37H41N3O5S2/c1-5-7-13-46-19-21-9-11-26-23(15-21)30-31-25(18-38-34(31)41)29-24-16-22(20-47-14-8-6-2)10-12-27(24)40-33(29)32(30)39(26)28-17-37(43,35(42)44-4)36(40,3)45-28/h9-12,15-16,28,43H,5-8,13-14,17-20H2,1-4H3,(H,38,41)/t28-,36+,37+/m1/s1
InChiKey: CMAAJKFJPMUHEN-ZTALTGERSA-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	neurotrophic tyrosine kinase, receptor, type 1	Starlite/ChEMBL	References
Rattus norvegicus	Protein kinase C (PKC)	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase kinase kinase 11	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase kinase kinase 10	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase kinase kinase 9	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	protein kinase c iota type	Get druggable targets OG5_131830	All targets in OG5_131830
Echinococcus multilocularis	protein kinase c iota type	Get druggable targets OG5_131830	All targets in OG5_131830
Schistosoma mansoni	atypical protein kinase C	Get druggable targets OG5_131830	All targets in OG5_131830
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_128497	All targets in OG5_128497
Echinococcus granulosus	mitogen-activated protein kinase kinase kinase 9	Get druggable targets OG5_128497	All targets in OG5_128497
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	Get druggable targets OG5_131830	All targets in OG5_131830
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	Get druggable targets OG5_128497	All targets in OG5_128497
Brugia malayi	protein kinase C3,putative	Get druggable targets OG5_131830	All targets in OG5_131830
Schistosoma japonicum	ko:K06069 atypical protein kinase C, putative	Get druggable targets OG5_131830	All targets in OG5_131830

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Protein kinase C (PKC)	671 aa	653 aa	65.4 %
Brugia malayi	Protein kinase c protein 2	Protein kinase C (PKC)	671 aa	652 aa	65.8 %
Schistosoma mansoni	serine/threonine protein kinase	Protein kinase C (PKC)	671 aa	651 aa	61.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0009	0.0048	0.0048
Echinococcus granulosus	mitogen-activated protein kinase kinase kinase 9	0.0339	0.973	0.973
Brugia malayi	protein kinase C II.	0.0016	0.0264	0.0248
Trypanosoma cruzi	mitochondrial structure specific endonuclease I (SSE-1), putative	0.0042	0.1028	0.0968
Echinococcus multilocularis	sh3 containing grb2 protein 3	0.001	0.0066	0.0066
Wolbachia endosymbiont of Brugia malayi	DNA polymerase I	0.006	0.1534	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Loa Loa (eye worm)	abl-interactor 1	0.001	0.0066	0.0066
Echinococcus multilocularis	carbonic anhydrase	0.0163	0.4583	0.4583
Loa Loa (eye worm)	hypothetical protein	0.0163	0.4583	0.4583
Echinococcus multilocularis	Src y 3 domain	0.001	0.0066	0.0066
Entamoeba histolytica	SH3 domain protein	0.001	0.0066	0.0036
Mycobacterium ulcerans	DNA polymerase I	0.006	0.1534	1
Leishmania major	telomerase reverse transcriptase, putative	0.0091	0.2461	0.2411
Entamoeba histolytica	beta-N-acetylhexosaminidase, putative	0.0177	0.4988	1
Schistosoma mansoni	carbonic anhydrase-related	0.0163	0.4583	0.4583
Echinococcus multilocularis	intersectin 2	0.0011	0.0103	0.0103
Echinococcus granulosus	protein kinase C and casein kinase substrate in	0.001	0.0066	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0307	0.8799	0.8799
Schistosoma mansoni	serine/threonine protein kinase	0.0016	0.0264	0.0264
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0163	0.4583	0.4574
Loa Loa (eye worm)	hypothetical protein	0.0307	0.8799	0.8799
Entamoeba histolytica	BAR/SH3 domain containing protein	0.001	0.0066	0.0036
Plasmodium vivax	5'-3' exonuclease, N-terminal resolvase-like domain, putative	0.0042	0.1028	0.3395
Schistosoma mansoni	growth factor receptor-bound protein	0.001	0.0066	0.0066
Echinococcus granulosus	protein kinase C gamma type	0.001	0.0085	0.0085
Schistosoma mansoni	atypical protein kinase C	0.0104	0.2843	0.2843
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0048	0.0048
Echinococcus granulosus	sh3 containing grb2 protein 3	0.001	0.0066	0.0066
Echinococcus granulosus	carbonic anhydrase	0.0163	0.4583	0.4583
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.114	0.114
Brugia malayi	Glycosyl hydrolase family 20, catalytic domain containing protein	0.0041	0.0992	0.0977
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0066	0.0114
Loa Loa (eye worm)	hypothetical protein	0.001	0.0066	0.0066
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.001	0.0066	0.0066
Echinococcus multilocularis	carbonic anhydrase	0.0163	0.4583	0.4583
Brugia malayi	hypothetical protein	0.001	0.0066	0.005
Schistosoma mansoni	carbonic anhydrase	0.0163	0.4583	0.4583
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0009	0.0048	0.0048
Echinococcus multilocularis	beta hexosaminidase subunit alpha	0.0111	0.3035	0.3035
Echinococcus granulosus	raf serine:threonine protein kinase	0.0011	0.01	0.01
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0066	0.005
Echinococcus multilocularis	rho guanine nucleotide exchange factor 16	0.001	0.0066	0.0066
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Loa Loa (eye worm)	BAR domain-containing protein	0.001	0.0066	0.0066
Echinococcus multilocularis	LIM and SH3 domain protein 1	0.001	0.0066	0.0066
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0016	0.0264	0.0264
Trichomonas vaginalis	p67phox protein, putative	0.001	0.0066	0.0114
Schistosoma mansoni	beta-hexosaminidase B	0.0177	0.4988	0.4988
Brugia malayi	Hr1 repeat family protein	0.0009	0.0048	0.0032
Entamoeba histolytica	hypothetical protein	0.001	0.0066	0.0036
Chlamydia trachomatis	DNA polymerase I	0.006	0.1534	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.01	0.01
Echinococcus multilocularis	abl interactor 2	0.001	0.0066	0.0066
Treponema pallidum	DNA polymerase I (polA)	0.006	0.1534	0.5
Echinococcus granulosus	abl interactor 2	0.001	0.0066	0.0066
Loa Loa (eye worm)	hypothetical protein	0.001	0.0066	0.0066
Schistosoma mansoni	sh3-containing grb2-like protein 3 (endophilin III)	0.001	0.0066	0.0066
Schistosoma mansoni	hypothetical protein	0.0013	0.0158	0.0158
Schistosoma mansoni	hypothetical protein	0.0013	0.0158	0.0158
Schistosoma mansoni	dynamin-associated protein	0.001	0.0066	0.0066
Echinococcus granulosus	Protein kinase C brain isozyme	0.0016	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0992	0.0992
Loa Loa (eye worm)	hypothetical protein	0.001	0.0066	0.0066
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.001	0.0066	0.0066
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0009	0.0048	0.0048
Echinococcus multilocularis	protein of unknown function DUF2013	0.001	0.0066	0.0066
Trypanosoma cruzi	mitochondrial structure specific endonuclease I (SSE-1), putative	0.0042	0.1028	0.0968
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0041	0.0992	0.3198
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0048	0.0048
Trypanosoma brucei	telomerase reverse transcriptase	0.0091	0.2461	0.2425
Echinococcus multilocularis	protein kinase c iota type	0.0098	0.2664	0.2664
Echinococcus granulosus	carbonic anhydrase	0.0163	0.4583	0.4583
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0048	0.0048
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0048	0.0032
Schistosoma mansoni	serine/threonine protein kinase	0.0016	0.0264	0.0264
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Brugia malayi	p70 ribosomal S6 kinase beta	0.0009	0.0048	0.0032
Echinococcus granulosus	Cbl interacting protein of 85 kDa	0.001	0.0066	0.0066
Echinococcus multilocularis	twinkle protein, mitochondrial	0.0013	0.0158	0.0158
Schistosoma mansoni	hypothetical protein	0.0338	0.9711	0.9711
Echinococcus granulosus	NDR protein kinase	0.0009	0.0048	0.0048
Echinococcus multilocularis	muscleblind protein 1	0.0307	0.8799	0.8799
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0009	0.0048	0.0048
Onchocerca volvulus	Hexosaminidase D homolog	0.0041	0.0992	0.1035
Trypanosoma brucei	SH3 domain protein, conserved	0.001	0.0066	0.0018
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.114	0.114
Brugia malayi	hypothetical protein	0.0149	0.4159	0.4149
Schistosoma mansoni	hematopoietic lineage cell specific protein	0.001	0.0066	0.0066
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0066	0.005
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0082	0.0066
Brugia malayi	hypothetical protein	0.001	0.0066	0.005
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0111	0.3035	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0163	0.4583	0.4583
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.114	0.1125
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0009	0.0048	0.0048
Toxoplasma gondii	RNA-directed DNA polymerase	0.0091	0.2461	0.5322
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0066	0.005
Entamoeba histolytica	beta-N-acetylhexosaminidase, beta subunit	0.0177	0.4988	1
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Toxoplasma gondii	helicase, putative	0.0017	0.0291	0.0536
Brugia malayi	Muscleblind-like protein	0.0307	0.8799	0.8797
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0066	0.005
Echinococcus granulosus	Src y 3 domain	0.001	0.0066	0.0066
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0048	0.0032
Schistosoma mansoni	carbonic anhydrase-related	0.0163	0.4583	0.4583
Echinococcus multilocularis	protein kinase c epsilon type	0.0016	0.0264	0.0264
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0163	0.4583	0.4574
Onchocerca volvulus		0.0149	0.4159	0.4339
Echinococcus granulosus	protein kinase c epsilon type	0.0016	0.0264	0.0264
Schistosoma mansoni	serine/threonine protein kinase	0.0329	0.9449	0.9449
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.001	0.0066	0.0066
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0348	1	1
Onchocerca volvulus	Twinkle protein, mitochondrial homolog	0.0013	0.0158	0.0165
Schistosoma mansoni	hypothetical protein	0.001	0.0066	0.0066
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0163	0.4583	0.4574
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0348	1	1
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0339	0.973	0.973
Echinococcus multilocularis	carbonic anhydrase II	0.0348	1	1
Loa Loa (eye worm)	carbonic anhydrase 3	0.0348	1	1
Brugia malayi	DNA polymerase I family protein	0.0017	0.0291	0.0275
Brugia malayi	Glycosyl hydrolase family 20, catalytic domain containing protein	0.0041	0.0992	0.0977
Schistosoma mansoni	serine/threonine kinase	0.0009	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.001	0.0066	0.0066
Plasmodium falciparum	5'-3' exonuclease, N-terminal resolvase-like domain, putative	0.0042	0.1028	0.1717
Trichomonas vaginalis	DNA polymerase I, putative	0.0017	0.0291	0.0864
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0009	0.0048	0.0048
Schistosoma mansoni	hypothetical protein	0.0338	0.9711	0.9711
Loa Loa (eye worm)	hypothetical protein	0.0163	0.4583	0.4583
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0163	0.4583	0.4574
Brugia malayi	protein kinase C3,putative	0.009	0.2417	0.2404
Loa Loa (eye worm)	hypothetical protein	0.0149	0.4159	0.4159
Entamoeba histolytica	hypothetical protein	0.001	0.0066	0.0036
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0048	0.0032
Entamoeba histolytica	beta-N-acetylhexosaminidase, alpha subunit	0.0177	0.4988	1
Trypanosoma cruzi	mitochondrial DNA polymerase I protein A, putative	0.0017	0.0291	0.0227
Toxoplasma gondii	5'-3' exonuclease, N-terminal resolvase family domain-containing protein	0.0021	0.0393	0.0762
Schistosoma mansoni	rhogef and pleckstrin domain protein	0.001	0.0066	0.0066
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.114	0.114
Schistosoma mansoni	beta-hexosaminidase B	0.0177	0.4988	0.4988
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0011	0.01	0.01
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0091	0.2461	0.2411
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0009	0.0048	0.0048
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0066	0.005
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0096	0.2596	0.2596
Echinococcus granulosus	beta hexosaminidase subunit alpha	0.0111	0.3035	0.3035
Toxoplasma gondii	hypothetical protein	0.0163	0.4583	1
Echinococcus granulosus	RIMS binding protein 2	0.001	0.0066	0.0066
Schistosoma mansoni	membrane traffic protein	0.001	0.0066	0.0066
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.114	0.114
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Onchocerca volvulus		0.001	0.0066	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0992	0.0992
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.114	0.114
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0348	1	1
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0334	0.9586	1
Schistosoma mansoni	tyrosine kinase	0.0014	0.0203	0.0203
Onchocerca volvulus		0.001	0.0066	0.0069
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.114	0.114
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.001	0.0066	0.0066
Echinococcus multilocularis	beta hexosaminidase subunit beta	0.0177	0.4988	0.4988
Loa Loa (eye worm)	TKL/MLK/MLK protein kinase	0.001	0.0082	0.0082
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0066	0.005
Echinococcus multilocularis	Cbl interacting protein of 85 kDa	0.001	0.0066	0.0066
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0009	0.0048	0.0048
Mycobacterium leprae	PROBABLE DNA POLYMERASE I POLA	0.006	0.1534	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Echinococcus multilocularis	protein kinase C and casein kinase substrate in	0.001	0.0066	0.0066
Loa Loa (eye worm)	hypothetical protein	0.001	0.0066	0.0066
Echinococcus multilocularis	serine threonine protein kinase	0.001	0.0085	0.0085
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.114	0.114
Echinococcus multilocularis	geminin	0.0338	0.9711	0.9711
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.001	0.0066	0.0066
Echinococcus granulosus	growth factor receptor bound protein 2	0.001	0.0066	0.0066
Trypanosoma brucei	mitochondrial structure specific endonuclease I (SSE-1), putative	0.0042	0.1028	0.0985
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0066	0.005
Onchocerca volvulus		0.001	0.0066	0.0069
Toxoplasma gondii	DNA polymerase I domain-containing protein	0.0017	0.0291	0.0536
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0009	0.0048	0.0048
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0111	0.3035	1
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0009	0.0048	0.0048
Echinococcus multilocularis	RIMS binding protein 2	0.001	0.0066	0.0066
Loa Loa (eye worm)	hypothetical protein	0.001	0.0066	0.0066
Schistosoma mansoni	hypothetical protein	0.001	0.0066	0.0066
Schistosoma mansoni	hypothetical protein	0.001	0.0066	0.0066
Trypanosoma cruzi	mitochondrial DNA polymerase I protein A, putative	0.0017	0.0291	0.0227
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0111	0.3035	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.114	0.114
Giardia lamblia	Telomerase catalytic subunit	0.0091	0.2461	0.5
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0009	0.0048	0.0048
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0009	0.0048	0.0048
Plasmodium falciparum	carbonic anhydrase	0.0163	0.4583	1
Echinococcus granulosus	protein kinase c iota type	0.0098	0.2664	0.2664
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0163	0.4583	0.4574
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0091	0.2461	0.2411
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0016	0.0264	0.0264
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.001	0.0066	0.0066
Trypanosoma brucei	paraflagellar rod protein 5, putative	0.001	0.0066	0.0018
Echinococcus granulosus	muscleblind protein	0.0307	0.8799	0.8799
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0066	0.005
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0348	1	1
Entamoeba histolytica	DNA-directed DNA polymerase, putative	0.0017	0.0291	0.0492
Echinococcus granulosus	LIM and SH3 domain protein 1	0.001	0.0066	0.0066
Leishmania major	mitochondrial DNA polymerase I protein A, putative	0.0017	0.0291	0.0227
Echinococcus granulosus	rho guanine nucleotide exchange factor 16	0.001	0.0066	0.0066
Plasmodium falciparum	telomerase reverse transcriptase	0.0091	0.2461	0.5057
Loa Loa (eye worm)	hypothetical protein	0.0163	0.4583	0.4583
Trypanosoma brucei	mitochondrial DNA polymerase I protein A, putative	0.0017	0.0291	0.0244
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Onchocerca volvulus		0.001	0.0066	0.0069
Echinococcus multilocularis	NCK adaptor protein	0.001	0.0066	0.0066
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0066	0.005
Schistosoma mansoni	carbonic anhydrase-related	0.0163	0.4583	0.4583
Brugia malayi	Glycosyl hydrolase family 20, catalytic domain containing protein	0.0177	0.4988	0.498
Schistosoma mansoni	hypothetical protein	0.0163	0.4583	0.4583
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Echinococcus multilocularis	endophilin A3	0.001	0.0066	0.0066
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0009	0.0048	0.0048
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0048	0.0048
Entamoeba histolytica	protein kinase, putative	0.001	0.0066	0.0036
Schistosoma mansoni	hypothetical protein	0.001	0.0066	0.0066
Schistosoma mansoni	DNA polymerase I	0.0017	0.0291	0.0291
Schistosoma mansoni	nebulin	0.001	0.0066	0.0066
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0009	0.0048	0.0048
Mycobacterium tuberculosis	Probable DNA polymerase I PolA	0.006	0.1534	1
Leishmania major	mitochondrial structure specific endonuclease I (SSE-1), putative	0.0042	0.1028	0.0968
Echinococcus granulosus	carbonic anhydrase	0.0163	0.4583	0.4583
Loa Loa (eye worm)	hypothetical protein	0.001	0.0066	0.0066
Echinococcus granulosus	tyrosine protein kinase Src42A	0.001	0.0066	0.0066
Schistosoma mansoni	serine/threonine protein kinase	0.0016	0.0264	0.0264
Echinococcus granulosus	twinkle protein mitochondrial	0.0013	0.0158	0.0158
Trypanosoma brucei	carbonic anhydrase-like protein	0.0348	1	1
Trichomonas vaginalis	beta-hexosaminidase B, putative	0.0111	0.3035	1
Trypanosoma brucei	mitochondrial DNA polymerase I protein A, putative	0.0017	0.0291	0.0244
Echinococcus granulosus	serine:threonine protein kinase N2	0.0009	0.0048	0.0048
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0348	1	1
Brugia malayi	Abl-interactor 1	0.001	0.0066	0.005
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0291	0.0291
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0009	0.0048	0.0048
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0048	0.0054
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0091	0.2461	1
Echinococcus multilocularis	muscleblind protein	0.0307	0.8799	0.8799
Leishmania major	carbonic anhydrase-like protein	0.0348	1	1
Echinococcus granulosus	beta hexosaminidase subunit beta	0.0177	0.4988	0.4988
Brugia malayi	Telomerase reverse transcriptase	0.0243	0.6909	0.6903
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0009	0.0048	0.0048
Echinococcus granulosus	carbonic anhydrase II	0.0348	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0066	0.0066
Entamoeba histolytica	beta-N-acetylhexosaminidase, putative	0.0177	0.4988	1
Echinococcus multilocularis	carbonic anhydrase	0.0163	0.4583	0.4583
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0048	0.0048
Echinococcus granulosus	geminin	0.0338	0.9711	0.9711
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0348	1	1
Onchocerca volvulus	Rho guanine nucleotide exchange factor 3 homolog	0.001	0.0066	0.0069
Loa Loa (eye worm)	twinkle helicase	0.0013	0.0158	0.0158
Loa Loa (eye worm)	hypothetical protein	0.001	0.0066	0.0066
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.001	0.0066	0.0066
Echinococcus granulosus	intersectin 2	0.0011	0.0103	0.0103
Brugia malayi	Variant SH3 domain containing protein	0.001	0.0066	0.005
Echinococcus granulosus	protein of unknown function DUF2013	0.001	0.0066	0.0066
Loa Loa (eye worm)	glycosyl hydrolase family 20	0.0177	0.4988	0.4988

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 143 nM	Inhibition of Mixed lineage kinase 3 (MLK3)	ChEMBL.	11755341
IC50 (binding)	= 143 nM	Inhibition of Mixed lineage kinase 3 (MLK3)	ChEMBL.	11755341
IC50 (binding)	= 303 nM	Inhibition of Mixed lineage kinase 1 (MLK1)	ChEMBL.	11755341
IC50 (binding)	= 303 nM	Inhibition of Mixed lineage kinase 1 (MLK1)	ChEMBL.	11755341
IC50 (binding)	= 627 nM	Inhibition of Mixed lineage kinase 2(MLK2)	ChEMBL.	11755341
IC50 (binding)	= 627 nM	Inhibition of Mixed lineage kinase 2(MLK2)	ChEMBL.	11755341
IC50 (binding)	> 1000 nM	Inhibition of NGF high affinity receptor tyrosine kinase TrkA	ChEMBL.	11755341
IC50 (binding)	> 1000 nM	Inhibition of NGF high affinity receptor tyrosine kinase TrkA	ChEMBL.	11755341
IC50 (binding)	> 7600 nM	Inhibition of protein kinase C (PKC) from rat brain homogenate	ChEMBL.	11755341
IC50 (binding)	> 7600 nM	Inhibition of protein kinase C (PKC) from rat brain homogenate	ChEMBL.	11755341

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: CHEMBL29709
PubChem: 10604501

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 50097