TDR Targets

Basic information

Technical information

TDR Targets ID: 1253824
Name: N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl ]amino]-1H-thieno[5,4-d]pyrazole-5-carboxamid e
MW: 412.509 | Formula: C20H24N6O2S
H donors: 3 H acceptors: 3 LogP: 2.4 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCNC(=O)c1cc2c(s1)c(n[nH]2)NC(=O)c1ccc(cc1)N1CCN(CC1)C
InChi: 1S/C20H24N6O2S/c1-3-21-20(28)16-12-15-17(29-16)18(24-23-15)22-19(27)13-4-6-14(7-5-13)26-10-8-25(2)9-11-26/h4-7,12H,3,8-11H2,1-2H3,(H,21,28)(H2,22,23,24,27)
InChiKey: DZGPQCOEPODXIA-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

N-ethyl-3-[[[4-(4-methyl-1-piperazinyl)phenyl]-oxomethyl]amino]-1H-thieno[5,4-d]pyrazole-5-carboxamide
N-ethyl-3-[[4-(4-methylpiperazin-1-yl)phenyl]carbonylamino]-1H-thieno[5,4-d]pyrazole-5-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aurora kinase A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium vivax	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium falciparum	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma cruzi	aurora B kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei gambiense	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Cryptosporidium hominis	protein kinase (EC 2.7.1.-) p46XlEg22	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine kinase 12	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Neospora caninum	hypothetical protein	Get druggable targets OG5_127024	All targets in OG5_127024
Cryptosporidium parvum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania donovani	Aurora I-related kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania major	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine-protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Giardia lamblia	Aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	ko:K08850 aurora kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma congolense	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium berghei	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania braziliensis	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania mexicana	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Toxoplasma gondii	aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium knowlesi	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	putative protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	Serine/threonine-protein kinase 12, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.0975	0.0975
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0485	0.0485
Brugia malayi	Protein kinase domain containing protein	0.0082	0.1165	0.1165
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0169	0.2746	0.2746
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0565	1	1
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0063	0.0817	0.0817
Schistosoma mansoni	serine/threonine protein kinase	0.028	0.4774	0.4774
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0975	0.0975
Leishmania major	hypothetical protein, conserved	0.0072	0.0975	0.0968
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0025	0.0115	0.0115
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0154	0.2478	0.2478
Echinococcus granulosus	raf serine:threonine protein kinase	0.0055	0.0664	0.0664
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0055	0.0664	0.0664
Giardia lamblia	Aurora kinase	0.0565	1	1
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0565	1	1
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0055	0.0664	0.0664
Schistosoma mansoni	chromobox protein	0.0069	0.0919	0.0919
Echinococcus multilocularis	aurora kinase A	0.0565	1	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.028	0.4774	0.4774
Echinococcus granulosus	expressed protein	0.0362	0.6289	0.6289
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0055	0.0664	0.0664
Toxoplasma gondii	diacylglycerol kinase, putative	0.0055	0.0664	0.0657
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0025	0.0115	0.0115
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0007	0.0007
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0919	0.0919
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0366	0.0366
Brugia malayi	Ras association domain family 1 isoform A	0.0055	0.0664	0.0664
Echinococcus granulosus	protein kinase c iota type	0.0204	0.339	0.339
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0419	0.0474
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.0975	0.5
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0664	0.0664
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0082	0.1165	0.1165
Brugia malayi	diacylglycerol kinase	0.0055	0.0664	0.0664
Schistosoma mansoni	serine/threonine protein kinase	0.0565	1	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.03	0.5141	0.5141
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0664	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0975	0.0975
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.0975	0.0968
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0072	0.0975	0.1201
Echinococcus granulosus	protein kinase C gamma type	0.0245	0.4136	0.4136
Onchocerca volvulus		0.0055	0.0664	0.1037
Schistosoma mansoni	ap endonuclease	0.0019	0.0007	0.0007
Brugia malayi	beta-lactamase family protein	0.0072	0.0975	0.0975
Echinococcus granulosus	protein kinase c epsilon type	0.028	0.4774	0.4774
Schistosoma mansoni	serine/threonine protein kinase	0.0061	0.0779	0.0779
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0055	0.0664	0.0664
Entamoeba histolytica	PH domain containing protein kinase, putative	0.014	0.2226	0.2226
Schistosoma mansoni	diacylglycerol kinase theta	0.0055	0.0664	0.0664
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0975	0.1201
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0975	0.0975
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0975	0.0975
Mycobacterium ulcerans	esterase/lipase LipP	0.0072	0.0975	1
Loa Loa (eye worm)	raf kinase	0.0055	0.0664	0.0664
Echinococcus granulosus	myotubularin protein 13	0.0055	0.0664	0.0664
Brugia malayi	Hr1 repeat family protein	0.0082	0.1165	0.1165
Brugia malayi	RhoGEF domain containing protein	0.0055	0.0664	0.0664
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0082	0.1165	0.1165
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.03	0.5141	0.5141
Brugia malayi	serine/threonine-protein kinase 6	0.0565	1	1
Schistosoma mansoni	diacylglycerol kinase theta	0.0055	0.0664	0.0664
Loa Loa (eye worm)	beta-lactamase	0.0072	0.0975	0.0975
Entamoeba histolytica	protein kinase, putative	0.0082	0.1165	0.1165
Loa Loa (eye worm)	AUR protein kinase	0.0565	1	1
Trichomonas vaginalis	esterase, putative	0.0072	0.0975	0.0975
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0664	0.0664
Schistosoma mansoni	ap endonuclease	0.0019	0.0007	0.0007
Toxoplasma gondii	ABC1 family protein	0.0072	0.0975	0.0968
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0159	0.0159
Onchocerca volvulus		0.0055	0.0664	0.1037
Echinococcus granulosus	aurora kinase A	0.0565	1	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0664	0.0664
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0082	0.1165	0.1165
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0565	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0485	0.0485
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0055	0.0664	0.0664
Echinococcus multilocularis	myotubularin protein 13	0.0055	0.0664	0.0664
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0975	0.0975
Loa Loa (eye worm)	hypothetical protein	0.0268	0.4562	0.4562
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Echinococcus multilocularis	protein kinase c eta type	0.0055	0.0664	0.0664
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0082	0.1165	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0664	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0154	0.2478	0.2478
Trichomonas vaginalis	AGC family protein kinase	0.0565	1	1
Echinococcus multilocularis	RNA directed DNA polymerase	0.0154	0.2478	0.2478
Schistosoma mansoni	unc-13 (munc13)	0.0063	0.0817	0.0817
Loa Loa (eye worm)	hypothetical protein	0.0209	0.3483	0.3483
Entamoeba histolytica	protein kinase, putative	0.0082	0.1165	0.1165
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0975	0.0975
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0082	0.1165	0.1165
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0366	0.0351
Brugia malayi	beta-lactamase family protein	0.0072	0.0975	0.0975
Brugia malayi	Protein kinase domain containing protein	0.0082	0.1165	0.1165
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0055	0.0664	0.0664
Mycobacterium tuberculosis	Probable lipase LipD	0.0072	0.0975	0.1201
Echinococcus granulosus	Diacylglycerol kinase theta	0.0055	0.0664	0.0664
Schistosoma mansoni	serine/threonine protein kinase	0.0082	0.1165	0.1165
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0072	0.0975	0.1201
Mycobacterium ulcerans	hypothetical protein	0.0072	0.0975	1
Echinococcus multilocularis	N chimaerin	0.0055	0.0664	0.0664
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0061	0.0779	0.0779
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0055	0.0664	0.0664
Mycobacterium leprae	Probable lipase LipE	0.0072	0.0975	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0975	0.0968
Schistosoma mansoni	serine/threonine kinase	0.0082	0.1165	0.1165
Brugia malayi	serine/threonine kinase 12	0.0565	1	1
Entamoeba histolytica	protein kinase, putative	0.0565	1	1
Loa Loa (eye worm)	hypothetical protein	0.0268	0.4562	0.4562
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0007	0.0007
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0007	0.5
Echinococcus granulosus	N chimaerin	0.0055	0.0664	0.0664
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0485	0.0485
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0268	0.4562	0.4562
Entamoeba histolytica	diacylglycerol kinase, putative	0.0055	0.0664	0.0664
Toxoplasma gondii	AGC kinase	0.0082	0.1165	0.1158
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0082	0.1165	0.1165
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0975	0.0975
Schistosoma mansoni	unc-13 (munc13)	0.0063	0.0817	0.0817
Toxoplasma gondii	aurora kinase	0.0565	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Echinococcus granulosus	unc 13 munc13	0.0063	0.0817	0.0817
Echinococcus multilocularis	unc 13 (munc13)	0.0063	0.0817	0.0817
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0082	0.1165	0.1165
Brugia malayi	Protein kinase domain containing protein	0.0061	0.0779	0.0779
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0061	0.0779	0.0779
Schistosoma mansoni	chromobox protein	0.0069	0.0919	0.0919
Schistosoma mansoni	hypothetical protein	0.0055	0.0664	0.0664
Onchocerca volvulus		0.0072	0.0975	0.1751
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0072	0.0975	0.1201
Trichomonas vaginalis	AGC family protein kinase	0.0565	1	1
Entamoeba histolytica	protein kinase, putative	0.0082	0.1165	0.1165
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0007	0.0007
Echinococcus granulosus	serine:threonine protein kinase N2	0.014	0.2226	0.2226
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0082	0.1165	0.1165
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0975	0.0975
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0007	0.0007
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0007	0.5
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0082	0.1165	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0664	0.0664
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0076	0.105	0.105
Brugia malayi	diacylglycerol kinase	0.0055	0.0664	0.0664
Schistosoma mansoni	serine/threonine protein kinase	0.03	0.5141	0.5141
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0975	0.0968
Loa Loa (eye worm)	hypothetical protein	0.035	0.6068	0.6068
Brugia malayi	Heterochromatin protein 1	0.0069	0.0919	0.0919
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0975	0.0975
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0115	0.0115
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0082	0.1165	0.1165
Onchocerca volvulus		0.0072	0.0975	0.1751
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0082	0.1165	0.1165
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0216	0.3616	0.3616
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0055	0.0664	0.0664
Entamoeba histolytica	hypothetical protein	0.0055	0.0664	0.0664
Loa Loa (eye worm)	AUR protein kinase	0.0565	1	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0082	0.1165	0.1165
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0055	0.0664	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0975	0.0975
Schistosoma mansoni	vav2	0.0055	0.0664	0.0664
Schistosoma mansoni	protein kinase	0.0565	1	1
Trypanosoma cruzi	aurora B kinase, putative	0.0565	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.0565	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.0919	0.0919
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Brugia malayi	Pleckstrin Homology Domain	0.0055	0.0664	0.0664
Echinococcus granulosus	protein kinase c eta type	0.0055	0.0664	0.0664
Loa Loa (eye worm)	AUR protein kinase	0.0565	1	1
Echinococcus granulosus	chromobox protein 1	0.0069	0.0919	0.0919
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0485	0.0485
Trichomonas vaginalis	AGC family protein kinase	0.0565	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0485	0.0485
Entamoeba histolytica	protein kinase , putative	0.0565	1	1
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0055	0.0664	0.0664
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0366	0.0366
Mycobacterium tuberculosis	Probable esterase LipL	0.0072	0.0975	0.1201
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0485	0.0485
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.0975	0.0975
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0072	0.0975	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0082	0.1165	0.1165
Brugia malayi	C1-like domain containing protein	0.0061	0.0779	0.0779
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0485	0.0485
Entamoeba histolytica	diacylglycerol kinase, putative	0.0055	0.0664	0.0664
Entamoeba histolytica	protein kinase, putative	0.0565	1	1
Brugia malayi	Variant SH3 domain containing protein	0.0055	0.0664	0.0664
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0975	0.0975
Echinococcus multilocularis	expressed protein	0.0362	0.6289	0.6289
Mycobacterium tuberculosis	Probable hydrolase	0.0072	0.0975	0.1201
Schistosoma mansoni	serine/threonine protein kinase	0.0082	0.1165	0.1165
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Brugia malayi	protein kinase C3,putative	0.0128	0.1999	0.1999
Onchocerca volvulus		0.0072	0.0975	0.1751
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0817	0.0817
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0366	0.0366
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0975	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0323	0.5567	0.5567
Schistosoma mansoni	protein kinase C	0.0063	0.0817	0.0817
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0975	0.1201
Leishmania major	protein kinase, putative	0.0565	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0159	0.0159
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0061	0.0779	0.0779
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0061	0.0779	0.0779
Brugia malayi	RhoGAP domain containing protein	0.0055	0.0664	0.0664
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0115	0.0115
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0565	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0061	0.0779	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0664	0.0664
Echinococcus granulosus	RNA directed DNA polymerase	0.0154	0.2478	0.2478
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.0975	0.0975
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0419	0.0419
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0082	0.1165	0.1165
Schistosoma mansoni	serine/threonine protein kinase	0.0055	0.0664	0.0664
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0025	0.0115	0.0115
Onchocerca volvulus		0.0268	0.4562	1
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0975	0.1201
Brugia malayi	RhoGAP domain containing protein	0.0055	0.0664	0.0664
Schistosoma mansoni	atypical protein kinase C	0.0209	0.3479	0.3479
Trypanosoma brucei	aurora B kinase	0.0565	1	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0007	0.0007
Echinococcus granulosus	chromobox protein 1	0.0069	0.0919	0.0919
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0082	0.1165	0.1158
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0007	0.0007
Schistosoma mansoni	protein kinase C mu	0.0055	0.0664	0.0664
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0919	0.0919
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0975	0.0975
Brugia malayi	p70 ribosomal S6 kinase beta	0.0082	0.1165	0.1165
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0565	1	1
Schistosoma mansoni	protein kinase C mu	0.0061	0.0779	0.0779
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0485	0.0485
Mycobacterium ulcerans	lipase LipD	0.0072	0.0975	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.0919	0.0919
Echinococcus multilocularis	serine threonine protein kinase	0.0245	0.4136	0.4136
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.0975	0.0975
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0055	0.0664	0.0664
Trichomonas vaginalis	AGC family protein kinase	0.0565	1	1
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0565	1	1
Echinococcus multilocularis	protein kinase c iota type	0.0204	0.339	0.339
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0007	0.0007
Schistosoma mansoni	rac gtpase activating protein	0.0055	0.0664	0.0664
Brugia malayi	chromobox protein homolog 3	0.0039	0.0366	0.0366
Schistosoma mansoni	serine/threonine protein kinase	0.0082	0.1165	0.1165
Entamoeba histolytica	protein kinase, putative	0.0082	0.1165	0.1165
Mycobacterium tuberculosis	Probable lipase LipE	0.0072	0.0975	0.1201
Schistosoma mansoni	serine/threonine protein kinase	0.03	0.5141	0.5141
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0664	0.0664
Schistosoma mansoni	serine/threonine protein kinase	0.0082	0.1165	0.1165
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0419	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0975	0.0975
Echinococcus multilocularis	protein kinase c epsilon type	0.028	0.4774	0.4774
Onchocerca volvulus		0.0063	0.0817	0.1389
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0133	0.2089	0.2089
Loa Loa (eye worm)	hypothetical protein	0.003	0.0213	0.0213
Echinococcus multilocularis	chromobox protein 1	0.0069	0.0919	0.0919
Echinococcus granulosus	NDR protein kinase	0.0082	0.1165	0.1165
Mycobacterium ulcerans	beta-lactamase	0.0072	0.0975	1
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0063	0.0817	0.0817
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0115	0.0115
Brugia malayi	Protein kinase c protein 2	0.0224	0.3751	0.3751
Brugia malayi	beta-lactamase	0.0072	0.0975	0.0975
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0459	0.8061	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0664	0.0664
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0082	0.1165	0.1165
Echinococcus granulosus	Rac GTPase activating protein 1	0.0055	0.0664	0.0664
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0565	1	1
Brugia malayi	protein kinase C II.	0.028	0.4774	0.4774
Trichomonas vaginalis	AGC family protein kinase	0.0082	0.1165	0.1165
Brugia malayi	Protein kinase domain containing protein	0.0082	0.1165	0.1165
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0025	0.0115	0.0115
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0025	0.0115	0.0115
Echinococcus granulosus	serine:threonine protein kinase N2	0.0082	0.1165	0.1165

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.048 uM	Inhibition of AurA	ChEMBL.	20817473
IC50 (functional)	= 0.71 uM	Cytotoxicity against human HCT116 cells	ChEMBL.	20817473

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20817473

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: CHEMBL1258114

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1253824