TDR Targets

Basic information

Technical information

TDR Targets ID: 845505
Name: ethyl 2-[1-(4,5-dimethyl-2-pyrrol-1-ylthiophe n-3-yl)ethylcarbamoylamino]benzoate
MW: 411.517 | Formula: C22H25N3O3S
H donors: 2 H acceptors: 2 LogP: 4.77 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1ccccc1NC(=O)NC(c1c(sc(c1C)C)n1cccc1)C
InChi: 1S/C22H25N3O3S/c1-5-28-21(26)17-10-6-7-11-18(17)24-22(27)23-15(3)19-14(2)16(4)29-20(19)25-12-8-9-13-25/h6-13,15H,5H2,1-4H3,(H2,23,24,27)
InChiKey: JIBGJORHXCLWIX-UHFFFAOYSA-N

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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

ethyl 2-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethylcarbamoylamino]benzoate
2-[[[1-[4,5-dimethyl-2-(1-pyrrolyl)-3-thienyl]ethylamino]-oxomethyl]amino]benzoic acid ethyl ester
2-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethylcarbamoylamino]benzoic acid ethyl ester
ethyl 2-[1-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)ethylcarbamoylamino]benzoate
C794-0988
NCGC00113343-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bacillus subtilis (strain 168)	ATP-dependent Clp protease proteolytic subunit	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	peptidase Clp S14 family	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127187	All targets in OG5_127187
Babesia bovis	ATP-dependent Clp protease proteolytic subunit 1, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Neospora caninum	ATP-dependent Clp protease proteolytic subunit, related	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K06275 parvin, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Brugia malayi	Probable ClpP-like protease	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium yoelii	ATP-dependent Clp protease, proteolytic subunit ClpP, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.1 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Chlamydia trachomatis	hypothetical protein	ATP-dependent Clp protease proteolytic subunit	197 aa	171 aa	22.8 %
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	186 aa	40.3 %
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	180 aa	36.7 %
Schistosoma mansoni	neuropeptide receptor	ATP-dependent Clp protease proteolytic subunit	197 aa	174 aa	20.1 %
Onchocerca volvulus	Putative V-type proton ATPase subunit F	ATP-dependent Clp protease proteolytic subunit	197 aa	194 aa	54.1 %
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	ATP-dependent Clp protease proteolytic subunit	197 aa	172 aa	57.0 %
Plasmodium yoelii	Clp protease	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.6 %
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	36.0 %
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	35.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	CAMK family protein kinase	0.0049	0.0784	0.1209
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.014	0.2721	0.5258
Echinococcus granulosus	plexin a4	0.002	0.0174	0.0328
Brugia malayi	Plexin repeat family protein	0.0017	0.0108	0.0113
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0094	0.1758	0.3394
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0253	0.5142	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0024	0.0249	0.0472
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0041	0.0037
Brugia malayi	Protein kinase domain containing protein	0.0258	0.5234	0.8825
Echinococcus granulosus	insulin receptor	0.0135	0.2621	0.5063
Loa Loa (eye worm)	NEK/NEK6 protein kinase	0.0206	0.4128	0.4126
Schistosoma mansoni	serine/threonine protein kinase	0.0024	0.0249	0.0481
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0023	0.024	0.0361
Loa Loa (eye worm)	histone deacetylase	0.023	0.4642	0.464
Echinococcus multilocularis	histone deacetylase 1	0.0253	0.5142	0.9941
Schistosoma mansoni	tyrosine kinase	0.0058	0.0972	0.1879
Toxoplasma gondii	AGC kinase	0.0044	0.0678	0.0435
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0058	0.0983	0.1812
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0096	0.1783	0.1924
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0043	0.0666	0.128
Echinococcus granulosus	tyrosine protein kinase Blk	0.004	0.0589	0.1132
Brugia malayi	Histone deacetylase family protein	0.023	0.4642	0.7819
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0024	0.0249	0.0472
Brugia malayi	Furin-like cysteine rich region family protein	0.0065	0.1125	0.1842
Echinococcus multilocularis	histone deacetylase 7	0.023	0.4642	0.8966
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0159	0.314	0.3136
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0043	0.0666	0.128
Brugia malayi	Histone deacetylase family protein	0.023	0.4642	0.7819
Echinococcus granulosus	serine/threonine protein kinase	0.0025	0.0283	0.0539
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.1758	0.2404
Echinococcus multilocularis	Glutaredoxin protein 5	0.002	0.0176	0.0235
Echinococcus granulosus	NDR protein kinase	0.0024	0.0249	0.0472
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0024	0.0249	0.0378
Echinococcus multilocularis	protein tyrosine kinase	0.0255	0.5172	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1783	0.3225
Schistosoma mansoni	tyrosine kinase	0.0135	0.2621	0.5068
Echinococcus granulosus	peptidase Clp S14 family	0.0062	0.1065	0.2052
Loa Loa (eye worm)	histone deacetylase 3	0.0253	0.5142	0.5139
Entamoeba histolytica	protein kinase, putative	0.0046	0.0721	0.0981
Schistosoma mansoni	tyrosine kinase	0.0065	0.1125	0.2176
Brugia malayi	plexin A	0.002	0.0174	0.0226
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0043	0.0666	0.1194
Echinococcus multilocularis	aurora kinase A	0.0058	0.0983	0.1812
Echinococcus multilocularis	roundabout 2	0.0019	0.0155	0.0194
Trypanosoma cruzi	histone deacetylase, putative	0.023	0.4642	0.8981
Schistosoma mansoni	tyrosine kinase	0.0043	0.0666	0.1288
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.1783	0.3447
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0043	0.0666	0.1194
Toxoplasma gondii	histone deacetylase HDAC1	0.023	0.4642	0.7661
Toxoplasma gondii	histone deacetylase HDAC3	0.0253	0.5142	0.8571
Brugia malayi	SRC-1	0.0043	0.0666	0.1062
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2236	0.2232
Echinococcus multilocularis	serine threonine protein kinase	0.0024	0.0249	0.0378
Echinococcus multilocularis	plexin a4	0.002	0.0174	0.0232
Schistosoma mansoni	tyrosine kinase	0.0255	0.5172	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0062	0.1065	0.5
Brugia malayi	p70 ribosomal S6 kinase beta	0.0044	0.0678	0.1082
Echinococcus granulosus	histone deacetylase 6	0.023	0.4642	0.8976
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.1783	0.3376
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1758	0.5
Echinococcus granulosus	protein tyrosine kinase	0.0255	0.5172	1
Echinococcus granulosus	MAM	0.0028	0.0336	0.0642
Trichomonas vaginalis	histone deacetylase, putative	0.0253	0.5142	1
Trichomonas vaginalis	AGC family protein kinase	0.0024	0.0249	0.013
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0253	0.5142	1
Trypanosoma brucei	aurora B kinase	0.0058	0.0983	0.0592
Schistosoma mansoni	tyrosine kinase	0.0135	0.2621	0.5068
Schistosoma mansoni	serine/threonine protein kinase	0.0159	0.314	0.6071
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0033	0.0439	0.0351
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0043	0.0666	0.1194
Schistosoma mansoni	tyrosine kinase	0.0065	0.1125	0.2176
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0108	0.0103
Schistosoma mansoni	histone deacetylase 4 5	0.023	0.4642	0.8977
Loa Loa (eye worm)	AGC/PKN protein kinase	0.015	0.295	0.2946
Plasmodium vivax	histone deacetylase, putative	0.023	0.4642	0.7743
Echinococcus granulosus	protein kinase C gamma type	0.0024	0.0249	0.0472
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0094	0.1758	1
Brugia malayi	protein-tyrosine kinase	0.004	0.0589	0.0931
Toxoplasma gondii	histone deacetylase HDAC5	0.0119	0.2282	0.3359
Schistosoma mansoni	tyrosine kinase	0.0058	0.0972	0.1879
Brugia malayi	histone deacetylase 3 (HD3)	0.0253	0.5142	0.8668
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1758	0.1754
Giardia lamblia	Kinase, PLK	0.0096	0.1783	0.3148
Echinococcus multilocularis	histone deacetylase 6	0.023	0.4642	0.8966
Echinococcus granulosus	protein kinase c iota type	0.0024	0.0249	0.0472
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0043	0.0666	0.128
Plasmodium falciparum	histone deacetylase 2	0.023	0.4642	0.8981
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0043	0.0666	0.128
Trichomonas vaginalis	AGC family protein kinase	0.0046	0.0721	0.1083
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0062	0.1065	0.4744
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0024	0.0249	0.0244
Echinococcus granulosus	histone deacetylase 8	0.0119	0.2282	0.4408
Brugia malayi	Serine/threonine-protein kinase Nek7	0.0206	0.4128	0.6945
Schistosoma mansoni	kinase	0.005	0.081	0.1566
Echinococcus granulosus	protein kinase c epsilon type	0.0024	0.0249	0.0472
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0119	0.2282	0.7172
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.1783	0.3148
Schistosoma mansoni	serine/threonine-protein kinase	0.0025	0.0283	0.0547
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0062	0.1065	0.5
Plasmodium falciparum	histone deacetylase, putative	0.023	0.4642	0.8981
Loa Loa (eye worm)	TK protein kinase	0.004	0.0589	0.0585
Brugia malayi	histone deacetylase 1 (HD1)	0.0253	0.5142	0.8668
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0159	0.314	0.6067
Trichomonas vaginalis	CAMK family protein kinase	0.0049	0.0784	0.1209
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0025	0.0283	0.0088
Echinococcus multilocularis	epidermal growth factor receptor	0.0065	0.1125	0.2091
Schistosoma mansoni	serine/threonine protein kinase	0.015	0.295	0.5704
Trypanosoma cruzi	histone deacetylase 1, putative	0.0253	0.5142	1
Trichomonas vaginalis	AGC family protein kinase	0.0046	0.0721	0.1083
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0159	0.314	0.6028
Trypanosoma brucei	histone deacetylase, putative	0.023	0.4642	0.8871
Entamoeba histolytica	protein kinase , putative	0.0058	0.0983	0.1515
Loa Loa (eye worm)	plexin A	0.002	0.0174	0.017
Schistosoma mansoni	serine/threonine protein kinase	0.0024	0.0249	0.0481
Echinococcus granulosus	histone deacetylase 3	0.0253	0.5142	0.9942
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0096	0.1783	0.5525
Plasmodium vivax	histone deacetylase 1, putative	0.0253	0.5142	0.8621
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1758	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1783	0.3225
Entamoeba histolytica	protein kinase, putative	0.0058	0.0983	0.1515
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1783	0.3225
Echinococcus granulosus	tyrosine kinase	0.004	0.0589	0.1132
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.002	0.0176	0.0331
Loa Loa (eye worm)	SRC-1	0.0043	0.0666	0.0662
Echinococcus multilocularis	rac serine:threonine kinase	0.0025	0.0283	0.0445
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1758	0.3098
Echinococcus multilocularis	epidermal growth factor receptor	0.0065	0.1125	0.2091
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1783	0.3225
Trypanosoma brucei	polo-like protein kinase	0.0096	0.1783	0.2402
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0025	0.0283	0.0088
Schistosoma mansoni	tyrosine kinase	0.0065	0.1125	0.2176
Entamoeba histolytica	protein kinase, putative	0.0058	0.0983	0.1515
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0043	0.0666	0.1194
Loa Loa (eye worm)	histone deacetylase 11	0.029	0.5925	0.5924
Echinococcus granulosus	nervana 2	0.002	0.0176	0.0331
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0024	0.0249	0.0378
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0046	0.0731	0.1405
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0159	0.314	1
Brugia malayi	histone deacetylase 11	0.029	0.5925	1
Schistosoma mansoni	serine/threonine protein kinase	0.0206	0.4128	0.7982
Echinococcus granulosus	serine:threonine protein kinase N2	0.0127	0.2447	0.4727
Echinococcus multilocularis	histone deacetylase	0.023	0.4642	0.8966
Echinococcus granulosus	histone deacetylase	0.023	0.4642	0.8976
Echinococcus multilocularis	histone deacetylase 3	0.0253	0.5142	0.9941
Leishmania major	histone deacetylase, putative	0.0253	0.5142	1
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0058	0.0983	0.1515
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0046	0.0721	0.0717
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.1783	0.3441
Trichomonas vaginalis	STE family protein kinase	0.0104	0.196	0.3582
Schistosoma mansoni	serine/threonine protein kinase	0.0024	0.0249	0.0481
Toxoplasma gondii	aurora kinase	0.0058	0.0983	0.099
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0033	0.0439	0.0407
Echinococcus granulosus	histone deacetylase 1	0.0253	0.5142	0.9942
Trypanosoma brucei	histone deacetylase 2	0.0119	0.2282	0.3532
Schistosoma mansoni	hypothetical protein	0.0028	0.0336	0.065
Entamoeba histolytica	protein kinase, putative	0.0046	0.0721	0.0981
Trichomonas vaginalis	AGC family protein kinase	0.0046	0.0721	0.1083
Echinococcus multilocularis	nervana 2	0.002	0.0176	0.0235
Echinococcus multilocularis	serine:threonine protein kinase N2	0.015	0.295	0.5657
Loa Loa (eye worm)	thyroid receptor interactor	0.0074	0.1318	0.1314
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0065	0.1125	0.1121
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0054	0.005
Echinococcus multilocularis	histone deacetylase 6	0.0236	0.4772	0.9218
Trypanosoma brucei	histone deacetylase 3	0.023	0.4642	0.8871
Onchocerca volvulus		0.0136	0.2637	0.8343
Schistosoma mansoni	protein kinase	0.0058	0.0983	0.19
Schistosoma mansoni	hypothetical protein	0.0028	0.0336	0.065
Trypanosoma cruzi	histone deacetylase, putative	0.023	0.4642	0.8981
Chlamydia trachomatis	serine/threonine protein kinase	0.0206	0.4128	1
Echinococcus multilocularis	insulin receptor	0.0135	0.2621	0.5014
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0058	0.0983	0.1306
Brugia malayi	Hr1 repeat family protein	0.015	0.295	0.4943
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0253	0.5142	1
Loa Loa (eye worm)	TK protein kinase	0.0036	0.051	0.0506
Trichomonas vaginalis	AGC family protein kinase	0.0058	0.0983	0.1611
Entamoeba histolytica	histone deacetylase, putative	0.0253	0.5142	1
Echinococcus granulosus	histone deacetylase 7	0.023	0.4642	0.8976
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0015	0.0055	0.0107
Echinococcus multilocularis	protein kinase c iota type	0.0024	0.0249	0.0378
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0043	0.0666	0.1194
Leishmania major	histone deacetylase, putative	0.023	0.4642	0.88
Echinococcus granulosus	twitchin	0.0015	0.0055	0.0098
Trichomonas vaginalis	AGC family protein kinase	0.0046	0.0721	0.1083
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0032	0.0436	0.0744
Leishmania major	histone deacetylase, putative	0.0253	0.5142	1
Trichomonas vaginalis	AGC family protein kinase	0.0058	0.0983	0.1611
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0024	0.0249	0.0472
Echinococcus multilocularis	MAM	0.0028	0.0336	0.0549
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0024	0.0249	0.0472
Toxoplasma gondii	NIMA-related protein kinase NIMA1	0.0104	0.196	0.2772
Trichomonas vaginalis	AGC family protein kinase	0.0104	0.196	0.3582
Brugia malayi	Protein kinase domain containing protein	0.0046	0.0721	0.1155
Schistosoma mansoni	tyrosine kinase	0.0013	0.0013	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0041	0.0037
Brugia malayi	Protein kinase domain containing protein	0.0135	0.2621	0.4384
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0043	0.0666	0.1194
Loa Loa (eye worm)	hypothetical protein	0.0204	0.4083	0.408
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0043	0.0666	0.1194
Onchocerca volvulus		0.0032	0.0437	0.1084
Schistosoma mansoni	serine/threonine kinase	0.0024	0.0249	0.0481
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.051	0.0889
Brugia malayi	serine/threonine kinase 12	0.0058	0.0983	0.16
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0043	0.0666	0.128
Echinococcus granulosus	aurora kinase A	0.0058	0.0983	0.1893
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0024	0.0249	0.0244
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.1783	0.296
Loa Loa (eye worm)	TK/ALK protein kinase	0.0238	0.4827	0.4824
Trypanosoma cruzi	histone deacetylase, putative	0.0119	0.2282	0.4167
Leishmania major	histone deacetylase, putative	0.023	0.4642	0.88
Brugia malayi	serine/threonine-protein kinase 6	0.0058	0.0983	0.16
Trichomonas vaginalis	AGC family protein kinase	0.0024	0.0249	0.013
Schistosoma mansoni	histone deacetylase 1 2 3	0.0119	0.2282	0.4413
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0292	0.0217
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0058	0.0983	0.1893
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.004	0.0589	0.1132
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0024	0.0249	0.0378
Plasmodium vivax	histone deacetylase 2, putative	0.023	0.4642	0.7743
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0336	0.0332
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0024	0.0249	0.0244
Schistosoma mansoni	nephrin	0.0016	0.0091	0.0176
Echinococcus granulosus	nervana 2	0.002	0.0176	0.0331
Plasmodium vivax	histone deacetylase, putative	0.029	0.5925	1
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0013	0.0024	0.002
Echinococcus granulosus	roundabout 2	0.0019	0.0155	0.0291
Loa Loa (eye worm)	TK/INSR protein kinase	0.0135	0.2621	0.2617
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1758	0.5
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.002	0.0176	0.0235
Echinococcus multilocularis	tyrosine protein kinase Srms	0.004	0.0589	0.1044
Trypanosoma brucei	histone deacetylase 1	0.0253	0.5142	1
Entamoeba histolytica	protein kinase, putative	0.0024	0.0249	0.0018
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1783	0.3225
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1758	0.5
Trypanosoma cruzi	histone deacetylase, putative	0.023	0.4642	0.8981
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0058	0.0983	0.1515
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0159	0.314	0.3136
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0054	0.005
Echinococcus granulosus	Glutaredoxin protein 5	0.002	0.0176	0.0331
Brugia malayi	Protein kinase domain containing protein	0.0239	0.4828	0.8135
Echinococcus multilocularis	histone deacetylase 6	0.023	0.4642	0.8966
Loa Loa (eye worm)	hypothetical protein	0.0119	0.2282	0.2279
Schistosoma mansoni	histone deacetylase	0.0253	0.5142	0.9942
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0155	0.3049	0.5112
Trichomonas vaginalis	histone deacetylase, putative	0.0253	0.5142	1
Schistosoma mansoni	tyrosine kinase	0.0043	0.0666	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0336	0.0332
Giardia lamblia	Kinase, NEK	0.0104	0.196	0.3509
Schistosoma mansoni	peptidase Clp (S14 family)	0.0094	0.1758	0.34
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.051	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0041	0.0037
Trichomonas vaginalis	AGC family protein kinase	0.0046	0.0721	0.1083
Schistosoma mansoni	plexin	0.0017	0.0108	0.0209
Toxoplasma gondii	histone deacetylase HDAC2	0.0253	0.5142	0.8571
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0024	0.0249	0.0378
Trichomonas vaginalis	AGC family protein kinase	0.0024	0.0249	0.013
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0062	0.1065	0.1973
Brugia malayi	Protein kinase domain containing protein	0.0024	0.0249	0.0352
Echinococcus multilocularis	histone deacetylase 8	0.0119	0.2282	0.4353
Loa Loa (eye worm)	hypothetical protein	0.0171	0.3389	0.3386
Entamoeba histolytica	protein kinase, putative	0.0044	0.0678	0.0894
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0096	0.1783	0.3148
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.1783	0.1779
Brugia malayi	Tyrosine-protein kinase abl-1	0.0015	0.0055	0.0024
Loa Loa (eye worm)	histone deacetylase 1	0.0253	0.5142	0.5139
Brugia malayi	Fes/CIP4 homology domain containing protein	0.0074	0.1318	0.217
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2106	0.2103
Trypanosoma cruzi	Protein kinase B	0.0025	0.0283	0.0088
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0094	0.1758	0.267
Echinococcus granulosus	epidermal growth factor receptor	0.0065	0.1125	0.2169
Schistosoma mansoni	serine/threonine protein kinase	0.0024	0.0249	0.0481
Brugia malayi	serine/threonine protein kinase 6	0.0058	0.0983	0.16
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0058	0.0983	0.1515
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0032	0.0436	0.0835
Loa Loa (eye worm)	AUR protein kinase	0.0058	0.0983	0.0978
Brugia malayi	Protein kinase domain containing protein	0.0024	0.0249	0.0352
Brugia malayi	Protein kinase domain containing protein	0.0159	0.314	0.5265
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.004	0.0589	0.1044
Trypanosoma cruzi	histone deacetylase, putative	0.0119	0.2282	0.4167
Brugia malayi	hypothetical protein	0.0028	0.0336	0.0501
Giardia lamblia	Histone deacetylase	0.0253	0.5142	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0015	0.0055	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0249	0.0244
Loa Loa (eye worm)	hypothetical protein	0.007	0.1242	0.1238
Brugia malayi	Probable ClpP-like protease	0.0094	0.1758	0.2918
Echinococcus granulosus	epidermal growth factor receptor	0.0065	0.1125	0.2169
Loa Loa (eye worm)	AUR protein kinase	0.0058	0.0983	0.0978
Giardia lamblia	Aurora kinase	0.0058	0.0983	0.1515
Schistosoma mansoni	histone deacetylase 4 5	0.023	0.4642	0.8977
Echinococcus granulosus	serine:threonine protein kinase N2	0.015	0.295	0.57
Onchocerca volvulus		0.0028	0.0336	0.0753
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0023	0.024	0.0455
Schistosoma mansoni	histone deacetylase hda2	0.0236	0.4772	0.9227
Plasmodium falciparum	NIMA related kinase 1	0.0104	0.196	0.3509
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0024	0.0249	0.0244
Schistosoma mansoni	serine/threonine protein kinase	0.0024	0.0249	0.0481
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0159	0.314	0.5265
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.1758	0.2404
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0024	0.0249	0.0244
Loa Loa (eye worm)	TK/FAK protein kinase	0.0258	0.5234	0.5232
Echinococcus multilocularis	tyrosine protein kinase Blk	0.004	0.0589	0.1044
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1783	0.3225
Toxoplasma gondii	histone deacetylase HDAC4	0.029	0.5925	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0127	0.2447	0.4675
Trichomonas vaginalis	histone deacetylase, putative	0.0253	0.5142	1
Schistosoma mansoni	serine/threonine protein kinase	0.0024	0.0249	0.0481
Trypanosoma cruzi	histone deacetylase 1, putative	0.0253	0.5142	1
Echinococcus granulosus	histone deacetylase 6	0.0236	0.4772	0.9226
Trichomonas vaginalis	histone deacetylase, putative	0.0253	0.5142	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0336	0.0332
Onchocerca volvulus	Tyrosine kinase homolog	0.0145	0.2841	0.9014
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0024	0.0249	0.0378
Loa Loa (eye worm)	AUR protein kinase	0.0058	0.0983	0.0978
Schistosoma mansoni	histone deacetylase hda2	0.0119	0.2282	0.4413
Schistosoma mansoni	tyrosine kinase	0.0015	0.0055	0.0107
Trichomonas vaginalis	AGC family protein kinase	0.0046	0.0721	0.1083
Giardia lamblia	Kinase, NEK	0.0104	0.196	0.3509
Schistosoma mansoni	histone deacetylase	0.0253	0.5142	0.9942
Loa Loa (eye worm)	hypothetical protein	0.0253	0.5142	0.5139
Schistosoma mansoni	serine/threonine protein kinase	0.0058	0.0983	0.19
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0044	0.0678	0.0674
Schistosoma mansoni	serine/threonine-protein kinase	0.0025	0.0283	0.0547
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.1783	0.3225
Trichomonas vaginalis	AGC family protein kinase	0.0058	0.0983	0.1611
Trichomonas vaginalis	histone deacetylase, putative	0.0253	0.5142	1
Trypanosoma brucei	histone deacetylase 4	0.023	0.4642	0.8871
Echinococcus granulosus	serine threonine protein kinase nrc	0.0023	0.024	0.0455
Entamoeba histolytica	protein kinase, putative	0.0036	0.051	0.0552
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0155	0.3049	0.3046
Echinococcus granulosus	c src tyrosine kinase	0.0015	0.0055	0.0098
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0065	0.1125	0.2169
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0024	0.0249	0.0378
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0043	0.0666	0.128
Loa Loa (eye worm)	histone deacetylase 7A	0.023	0.4642	0.464
Brugia malayi	protein kinase C II.	0.0024	0.0249	0.0352
Trichomonas vaginalis	AGC family protein kinase	0.0046	0.0721	0.1083
Plasmodium vivax	NIMA-related protein kinase (Pfnek-1), putative	0.0104	0.196	0.3026
Brugia malayi	Histone deacetylase 1	0.0253	0.5142	0.8668
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0058	0.0983	0.1515
Echinococcus granulosus	histone deacetylase 6	0.023	0.4642	0.8976
Trichomonas vaginalis	AGC family protein kinase	0.0058	0.0983	0.1611
Entamoeba histolytica	protein kinase domain containing protein	0.0058	0.0983	0.1515
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0043	0.0666	0.128
Echinococcus multilocularis		0.0017	0.0105	0.0096
Brugia malayi	Protein kinase domain containing protein	0.0077	0.1395	0.23
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0094	0.1758	0.3328
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.014	0.2721	0.521
Trypanosoma cruzi	aurora B kinase, putative	0.0058	0.0983	0.1515
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.1783	0.3148
Schistosoma mansoni	cell adhesion molecule	0.0017	0.0105	0.0203
Echinococcus multilocularis	protein kinase c epsilon type	0.0024	0.0249	0.0378
Plasmodium falciparum	histone deacetylase 1	0.0253	0.5142	1
Giardia lamblia	Kinase, NEK	0.0104	0.196	0.3509
Schistosoma mansoni	tyrosine kinase	0.0058	0.0972	0.1879
Schistosoma mansoni	atypical protein kinase C	0.0024	0.0249	0.0481
Schistosoma mansoni	tyrosine kinase	0.0015	0.0055	0.0107
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0025	0.0283	0.0088
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0043	0.0666	0.1194
Echinococcus multilocularis	nervana 2	0.002	0.0176	0.0235
Trichomonas vaginalis	histone deacetylase, putative	0.0253	0.5142	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0043	0.0666	0.1194

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	100 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1402306
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 845505