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
Theileria parva	ATP-dependent Clp protease proteolytic subunit, 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
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	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
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	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
Echinococcus multilocularis	peptidase Clp (S14 family)	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
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
Schistosoma mansoni	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
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	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
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	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
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	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
Wolbachia endosymbiont of Brugia malayi	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
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing 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
Loa Loa (eye worm)	hypothetical protein	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
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	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
Brugia malayi	Probable ClpP-like protease	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
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	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

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

Ranking Plot

Putative Targets List

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

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
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 845505