TDR Targets

Basic information

Technical information

TDR Targets ID: 49990
Name: (Z)-3-amino-3-(2-aminophenyl)sulfanyl-2-[3-[( 2,4-dinitrophenyl)-hydroxymethyl]phenyl]prop- 2-enenitrile
MW: 463.466 | Formula: C22H17N5O5S
H donors: 3 H acceptors: 6 LogP: 3.24 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#C/C(=C(\Sc1ccccc1N)/N)/c1cccc(c1)C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])O
InChi: 1S/C22H17N5O5S/c23-12-17(22(25)33-20-7-2-1-6-18(20)24)13-4-3-5-14(10-13)21(28)16-9-8-15(26(29)30)11-19(16)27(31)32/h1-11,21,28H,24-25H2/b22-17+
InChiKey: YSNCPAJGYPDDEK-OQKWZONESA-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

(Z)-3-amino-3-(2-aminophenyl)sulfanyl-2-[3-[(2,4-dinitrophenyl)-hydroxy-methyl]phenyl]prop-2-enenitrile
(Z)-3-amino-3-[(2-aminophenyl)thio]-2-[3-[(2,4-dinitrophenyl)-hydroxymethyl]phenyl]-2-propenenitrile
(Z)-3-(2-aminophenyl)sulfanyl-3-azanyl-2-[3-[(2,4-dinitrophenyl)-hydroxy-methyl]phenyl]prop-2-enenitrile
(Z)-3-amino-3-[(2-aminophenyl)thio]-2-[3-[(2,4-dinitrophenyl)-hydroxy-methyl]phenyl]acrylonitrile
(Z)-3-amino-3-[(2-aminophenyl)thio]-2-[3-[(2,4-dinitrophenyl)-hydroxymethyl]phenyl]prop-2-enenitrile

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase kinase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	Get druggable targets OG5_127304	All targets in OG5_127304
Loa Loa (eye worm)	STE/STE7/MEK1 protein kinase	Get druggable targets OG5_127304	All targets in OG5_127304
Schistosoma japonicum	Dual specificity mitogen-activated protein kinase kinase 2, putative	Get druggable targets OG5_127304	All targets in OG5_127304
Trypanosoma brucei	mitogen-activated protein kinase kinase 5	Get druggable targets OG5_127304	All targets in OG5_127304
Echinococcus multilocularis	dual specificity mitogen activated protein	Get druggable targets OG5_127304	All targets in OG5_127304
Trichomonas vaginalis	STE family protein kinase	Get druggable targets OG5_127304	All targets in OG5_127304
Candida albicans	likely MAP kinase kinase that can functionally substitute for S. cerevisiae STE7 (YDL159W)	Get druggable targets OG5_127304	All targets in OG5_127304
Giardia lamblia	Kinase, STE STE20	Get druggable targets OG5_127304	All targets in OG5_127304
Brugia malayi	Dual specificity mitogen-activated protein kinase kinase mek-2	Get druggable targets OG5_127304	All targets in OG5_127304
Schistosoma japonicum	Dual specificity mitogen-activated protein kinase kinase 1, putative	Get druggable targets OG5_127304	All targets in OG5_127304
Trichomonas vaginalis	STE family protein kinase	Get druggable targets OG5_127304	All targets in OG5_127304
Echinococcus granulosus	dual specificity mitogen activated protein	Get druggable targets OG5_127304	All targets in OG5_127304
Trypanosoma congolense	mitogen-activated protein kinase kinase 5	Get druggable targets OG5_127304	All targets in OG5_127304
Trichomonas vaginalis	STE family protein kinase	Get druggable targets OG5_127304	All targets in OG5_127304
Leishmania donovani	mitogen-activated protein kinase kinase 5	Get druggable targets OG5_127304	All targets in OG5_127304
Cryptosporidium hominis	protein kinase NPK2 (EC 2.7.1.-)	Get druggable targets OG5_127304	All targets in OG5_127304
Schistosoma mansoni	protein kinase	Get druggable targets OG5_127304	All targets in OG5_127304
Trypanosoma brucei gambiense	protein kinase, putative,MAP kinase kinase, putative	Get druggable targets OG5_127304	All targets in OG5_127304
Leishmania infantum	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	Get druggable targets OG5_127304	All targets in OG5_127304
Trypanosoma cruzi	mitogen-activated protein kinase kinase 5	Get druggable targets OG5_127304	All targets in OG5_127304
Leishmania braziliensis	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	Get druggable targets OG5_127304	All targets in OG5_127304
Cryptosporidium parvum	protein kinase NPK2	Get druggable targets OG5_127304	All targets in OG5_127304
Candida albicans	likely MAP kinase kinase that can functionally substitute for S. cerevisiae STE7 (YDL159W)	Get druggable targets OG5_127304	All targets in OG5_127304
Leishmania mexicana	protein kinase, putative,mitogen activated protein kinase, putative	Get druggable targets OG5_127304	All targets in OG5_127304
Candida albicans	member of the HOG1 MAPK cascade	Get druggable targets OG5_127304	All targets in OG5_127304

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
Echinococcus granulosus	protein TFG	0.0033	0.0287	0.0255
Giardia lamblia	Kinase, STE STE20	0.0091	0.1314	1
Schistosoma mansoni	serine/threonine protein kinase	0.006	0.0766	0.0721
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.0048	0.0054
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0052	0.0616	0.2465
Schistosoma mansoni	protein kinase	0.0091	0.1314	0.1272
Brugia malayi	intermediate filament protein	0.0032	0.0263	0.0315
Schistosoma mansoni	intermediate filament proteins	0.0032	0.0263	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0286	0.0319
Schistosoma mansoni	serine/threonine protein kinase	0.006	0.0766	0.0721
Trichomonas vaginalis	AGC family protein kinase	0.006	0.0766	0.5667
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0052	0.0616	0.1592
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	0.1038	0.4303
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0052	0.0616	0.2465
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0286	0.0319
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0035	0.0319	0.0289
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.1038	0.4303
Onchocerca volvulus		0.0032	0.0263	0.7651
Echinococcus multilocularis	Glutaredoxin protein 5	0.0024	0.0127	0.0084
Onchocerca volvulus		0.0035	0.032	0.9659
Brugia malayi	Protein kinase domain containing protein	0.0087	0.124	0.1482
Echinococcus granulosus	Glutaredoxin protein 5	0.0024	0.0127	0.0084
Brugia malayi	protein kinase C II.	0.0093	0.1356	0.162
Plasmodium falciparum	glutathione reductase	0.0052	0.0616	0.2135
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.0263	0.0294
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Leishmania major	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	0.0091	0.1314	0.5501
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0029	0.0203	0.13
Trichomonas vaginalis	AGC family protein kinase	0.006	0.0766	0.5667
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.006	0.0766	0.0766
Schistosoma mansoni	lamin	0.0032	0.0263	0.0216
Echinococcus multilocularis	serine:threonine protein kinase N2	0.006	0.0766	0.0766
Entamoeba histolytica	diacylglycerol kinase, putative	0.0033	0.0286	0.1997
Brugia malayi	protein kinase C3,putative	0.0487	0.8372	1
Schistosoma mansoni	rac gtpase activating protein	0.0033	0.0286	0.0239
Brugia malayi	Pleckstrin Homology Domain	0.0036	0.033	0.0394
Echinococcus granulosus	lamin dm0	0.0032	0.0263	0.023
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.006	0.0766	0.0766
Mycobacterium ulcerans	methyltransferase	0.0159	0.2533	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Onchocerca volvulus		0.0033	0.0287	0.8493
Echinococcus granulosus	Rac GTPase activating protein 1	0.0033	0.0286	0.0254
Entamoeba histolytica	protein kinase, putative	0.0084	0.1197	0.9638
Echinococcus multilocularis	protein kinase c epsilon type	0.0093	0.1356	0.1397
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0026	0.016	0.0119
Schistosoma mansoni	serine/threonine protein kinase	0.0035	0.0319	0.0272
Trypanosoma cruzi	PB1 domain containing protein, putative	0.0033	0.0287	0.1038
Trypanosoma brucei	mitogen-activated protein kinase kinase 5	0.0091	0.1314	0.4981
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0052	0.0616	0.057
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0263	0.0294
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0087	0.124	0.4622
Entamoeba histolytica	diacylglycerol kinase, putative	0.0033	0.0286	0.1997
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0052	0.0616	0.2465
Onchocerca volvulus		0.0033	0.0286	0.8464
Loa Loa (eye worm)	AGC/NDR protein kinase	0.006	0.0766	0.0854
Toxoplasma gondii	thioredoxin reductase	0.0149	0.2349	1
Brugia malayi	RhoGAP domain containing protein	0.0033	0.0286	0.0342
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0052	0.0616	0.1592
Echinococcus granulosus	serine threonine protein kinase nrc	0.0026	0.016	0.0119
Echinococcus granulosus	protein kinase C gamma type	0.006	0.0766	0.0766
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0035	0.0319	0.0381
Schistosoma mansoni	diacylglycerol kinase theta	0.0033	0.0286	0.0239
Mycobacterium ulcerans	mycolic acid synthase UmaA	0.0159	0.2533	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0149	0.2349	0.2458
Trichomonas vaginalis	AGC family protein kinase	0.0087	0.124	0.9415
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0029	0.0203	0.0673
Brugia malayi	Cathepsin L-like precursor	0.002	0.0048	0.0058
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0035	0.0319	0.0356
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0052	0.0616	0.2135
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0087	0.124	0.1384
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0286	0.0319
Schistosoma mansoni	lamin	0.0032	0.0263	0.0216
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0048	0.0058
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0052	0.0616	0.2465
Loa Loa (eye worm)	cysteine protease	0.002	0.0048	0.0054
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0052	0.0616	0.2135
Loa Loa (eye worm)	PAR-6 protein	0.0033	0.0287	0.032
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.006	0.0766	0.0766
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0033	0.0286	0.0319
Plasmodium falciparum	thioredoxin reductase	0.0149	0.2349	0.8663
Echinococcus granulosus	protein kinase c iota type	0.0546	0.9409	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.0263	0.0294
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0052	0.0616	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0286	0.0319
Brugia malayi	RhoGAP domain containing protein	0.0033	0.0286	0.0342
Echinococcus multilocularis	protein TFG	0.0033	0.0287	0.0255
Loa Loa (eye worm)	thioredoxin reductase	0.0149	0.2349	0.2621
Loa Loa (eye worm)	ctsf protein	0.002	0.0048	0.0054
Echinococcus granulosus	Protein kinase C brain isozyme	0.0093	0.1356	0.1397
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0052	0.0616	0.2135
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.006	0.0766	0.0854
Trichomonas vaginalis	mercuric reductase, putative	0.0052	0.0616	0.448
Echinococcus granulosus	nervana 2	0.0024	0.0127	0.0084
Echinococcus granulosus	Diacylglycerol kinase theta	0.0033	0.0286	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0286	0.0319
Schistosoma mansoni	serine/threonine protein kinase	0.0035	0.0319	0.0272
Echinococcus multilocularis	musashi	0.0032	0.0263	0.023
Entamoeba histolytica	protein kinase, putative	0.006	0.0766	0.6019
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Loa Loa (eye worm)	hypothetical protein	0.002	0.0048	0.0054
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0052	0.0616	0.2465
Onchocerca volvulus		0.0032	0.0263	0.7651
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0093	0.1356	0.1397
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0286	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0286	0.0319
Echinococcus granulosus	serine/threonine protein kinase	0.0029	0.0203	0.0166
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0033	0.0286	0.0254
Brugia malayi	Protein kinase c protein 2	0.0035	0.0319	0.0381
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.1356	0.1314
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.0751	0.3054
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0033	0.0286	0.0319
Onchocerca volvulus		0.0033	0.0286	0.8464
Brugia malayi	Protein kinase domain containing protein	0.0035	0.0319	0.0381
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0048	0.0054
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0033	0.0286	0.0254
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0521	0.8963	1
Schistosoma mansoni	protein kinase C mu	0.0035	0.0319	0.0272
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0052	0.0616	0.2465
Loa Loa (eye worm)	STE/STE11/MEKK2 protein kinase	0.0035	0.032	0.0357
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0033	0.0286	0.0319
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Echinococcus granulosus	serine:threonine protein kinase N2	0.006	0.0766	0.0766
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0026	0.016	0.0486
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.1038	0.4303
Brugia malayi	diacylglycerol kinase	0.0033	0.0286	0.0342
Brugia malayi	Protein kinase domain containing protein	0.006	0.0766	0.0915
Brugia malayi	Variant SH3 domain containing protein	0.0033	0.0286	0.0342
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0052	0.0616	0.0606
Echinococcus granulosus	protein kinase c epsilon type	0.0093	0.1356	0.1397
Trypanosoma cruzi	mitogen-activated protein kinase kinase 5	0.0091	0.1314	0.5501
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0052	0.0616	0.0606
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0052	0.0616	0.2465
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0093	0.1356	0.1513
Trichomonas vaginalis	AGC family protein kinase	0.0063	0.0809	0.6008
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0069	0.0922	0.3797
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0026	0.016	0.0421
Brugia malayi	p70 ribosomal S6 kinase beta	0.0084	0.1197	0.143
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0026	0.016	0.0421
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0052	0.0616	0.5
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0024	0.0127	0.0084
Echinococcus multilocularis	serine:threonine protein kinase 38	0.006	0.0766	0.0766
Echinococcus multilocularis	serine:threonine protein kinase N2	0.006	0.0766	0.0766
Schistosoma mansoni	serine/threonine kinase	0.006	0.0766	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0253	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0036	0.033	0.0368
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0052	0.0616	0.1592
Trypanosoma brucei	trypanothione reductase	0.0149	0.2349	1
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.1356	0.1314
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Echinococcus multilocularis	partitioning defective protein 6	0.0033	0.0287	0.0255
Echinococcus granulosus	myotubularin protein 13	0.0036	0.033	0.03
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0149	0.2349	0.9043
Schistosoma mansoni	vav2	0.0036	0.033	0.0283
Schistosoma mansoni	diacylglycerol kinase theta	0.0033	0.0286	0.0239
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0033	0.0286	0.0319
Entamoeba histolytica	protein kinase, putative	0.0087	0.124	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0052	0.0616	0.2465
Leishmania major	hypothetical protein, conserved	0.0033	0.0287	0.1038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Plasmodium falciparum	phosphoethanolamine N-methyltransferase	0.0169	0.2705	1
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0033	0.0286	0.0239
Echinococcus multilocularis	unc 13 (munc13)	0.0033	0.0286	0.0254
Brugia malayi	glutathione reductase	0.0149	0.2349	0.2806
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Brugia malayi	Cathepsin L-like precursor	0.002	0.0048	0.0058
Treponema pallidum	NADH oxidase	0.0052	0.0616	0.5
Brugia malayi	Protein kinase domain containing protein	0.0035	0.032	0.0382
Trichomonas vaginalis	AGC family protein kinase	0.0087	0.124	0.9415
Trichomonas vaginalis	AGC family protein kinase	0.0087	0.124	0.9415
Trichomonas vaginalis	AGC family protein kinase	0.006	0.0766	0.5667
Entamoeba histolytica	hypothetical protein	0.0033	0.0286	0.1997
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0052	0.0616	0.5
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.006	0.0766	0.0854
Echinococcus granulosus	raf serine:threonine protein kinase	0.0033	0.0286	0.0254
Trichomonas vaginalis	glutathione reductase, putative	0.0052	0.0616	0.448
Schistosoma mansoni	serine/threonine protein kinase	0.006	0.0766	0.0721
Echinococcus multilocularis	nervana 2	0.0024	0.0127	0.0084
Echinococcus granulosus	intermediate filament protein	0.0032	0.0263	0.023
Brugia malayi	Hr1 repeat family protein	0.006	0.0766	0.0915
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0033	0.0286	0.0254
Toxoplasma gondii	NADPH-glutathione reductase	0.0052	0.0616	0.2465
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0038	0.0371	0.0444
Mycobacterium tuberculosis	Possible methyltransferase (methylase)	0.0159	0.2533	1
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.006	0.0766	0.0766
Echinococcus multilocularis	nervana 2	0.0024	0.0127	0.0084
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0033	0.0286	0.0254
Trypanosoma cruzi	trypanothione reductase, putative	0.0052	0.0616	0.2465
Loa Loa (eye worm)	fibroinase	0.002	0.0048	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0287	0.032
Schistosoma mansoni	unc-13 (munc13)	0.0033	0.0286	0.0239
Echinococcus multilocularis	lamin	0.0032	0.0263	0.023
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Schistosoma mansoni	protein kinase C mu	0.0033	0.0286	0.0239
Trichomonas vaginalis	STE family protein kinase	0.0091	0.1314	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.006	0.0766	0.0766
Trichomonas vaginalis	STE family protein kinase	0.0091	0.1314	1
Mycobacterium tuberculosis	Possible mycolic acid synthase UmaA	0.0159	0.2533	1
Entamoeba histolytica	protein kinase 2, putative	0.0026	0.016	0.0938
Schistosoma mansoni	serine/threonine-protein kinase	0.0029	0.0203	0.0156
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0052	0.0616	0.2465
Onchocerca volvulus	Protein TFG homolog	0.0033	0.0287	0.8493
Brugia malayi	Thioredoxin reductase	0.0149	0.2349	0.2806
Loa Loa (eye worm)	AGC/PKN protein kinase	0.006	0.0766	0.0854
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0052	0.0616	0.3946
Brugia malayi	Cathepsin L-like precursor	0.002	0.0048	0.0058
Trypanosoma cruzi	trypanothione reductase, putative	0.0149	0.2349	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0048	0.0058
Leishmania major	cathepsin L-like protease	0.0075	0.1038	0.4303
Loa Loa (eye worm)	STE/STE7/MEK1 protein kinase	0.0091	0.1314	0.1466
Loa Loa (eye worm)	glutathione reductase	0.0149	0.2349	0.2621
Schistosoma mansoni	protein kinase C	0.0033	0.0286	0.0239
Schistosoma mansoni	hypothetical protein	0.0033	0.0286	0.0239
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0033	0.0286	0.0239
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.0263	0.0315
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0038	0.0371	0.0444
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0026	0.016	0.0119
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0052	0.0616	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0286	0.0319
Echinococcus multilocularis	N chimaerin	0.0033	0.0286	0.0254
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1038	0.3643
Trichomonas vaginalis	AGC family protein kinase	0.0087	0.124	0.9415
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.1038	0.4303
Echinococcus granulosus	thioredoxin glutathione reductase	0.0149	0.2349	0.2458
Brugia malayi	RhoGEF domain containing protein	0.0033	0.0286	0.0342
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.006	0.0766	0.0766
Trypanosoma cruzi	PB1 domain containing protein, putative	0.0033	0.0287	0.1038
Trichomonas vaginalis	AGC family protein kinase	0.0087	0.124	0.9415
Echinococcus granulosus	protein kinase c eta type	0.0033	0.0286	0.0254
Echinococcus multilocularis	protein kinase c iota type	0.0546	0.9409	1
Echinococcus multilocularis	serine threonine protein kinase	0.006	0.0766	0.0766
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0052	0.0616	0.5
Echinococcus granulosus	N chimaerin	0.0033	0.0286	0.0254
Entamoeba histolytica	protein kinase, putative	0.0087	0.124	1
Trichomonas vaginalis	STE family protein kinase	0.0091	0.1314	1
Schistosoma mansoni	cell polarity protein	0.0033	0.0287	0.024
Plasmodium falciparum	thioredoxin reductase	0.0052	0.0616	0.2135
Brugia malayi	Partitioning defective-6 homolog alpha	0.0033	0.0287	0.0343
Echinococcus multilocularis	dual specificity mitogen activated protein	0.0091	0.1314	0.1352
Onchocerca volvulus		0.0036	0.033	1
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0286	0.0239
Echinococcus multilocularis	rac serine:threonine kinase	0.0029	0.0203	0.0166
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0052	0.0616	0.1592
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0058	0.0733	0.5408
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0286	0.0319
Schistosoma mansoni	unc-13 (munc13)	0.0033	0.0286	0.0239
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0084	0.1197	0.1336
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0033	0.0286	0.0254
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0052	0.0616	0.2465
Brugia malayi	diacylglycerol kinase	0.0033	0.0286	0.0342
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0052	0.0616	0.2465
Brugia malayi	Cathepsin L-like precursor	0.002	0.0048	0.0058
Entamoeba histolytica	hypothetical protein, conserved	0.0033	0.0287	0.2004
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.006	0.0766	0.0854
Echinococcus granulosus	NDR protein kinase	0.006	0.0766	0.0766
Leishmania major	cathepsin L-like protease	0.0075	0.1038	0.4303
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0035	0.0319	0.0289
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0024	0.0127	0.0084
Plasmodium falciparum	glutathione reductase	0.0149	0.2349	0.8663
Echinococcus granulosus	nervana 2	0.0024	0.0127	0.0084
Brugia malayi	Dual specificity mitogen-activated protein kinase kinase mek-2	0.0091	0.1314	0.157
Leishmania major	cathepsin L-like protease	0.0075	0.1038	0.4303
Echinococcus granulosus	unc 13 munc13	0.0033	0.0286	0.0254
Brugia malayi	Cathepsin L-like precursor	0.002	0.0048	0.0058
Echinococcus multilocularis	myotubularin protein 13	0.0036	0.033	0.03
Trichomonas vaginalis	AGC family protein kinase	0.0087	0.124	0.9415
Brugia malayi	Protein kinase domain containing protein	0.006	0.0766	0.0915
Toxoplasma gondii	diacylglycerol kinase, putative	0.0033	0.0286	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0286	0.0319
Leishmania major	trypanothione reductase	0.0149	0.2349	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.033	0.0368
Loa Loa (eye worm)	zinc finger protein	0.0033	0.0287	0.032
Echinococcus granulosus	dual specificity mitogen activated protein	0.0091	0.1314	0.1352
Plasmodium vivax	glutathione reductase, putative	0.0149	0.2349	0.8663
Plasmodium vivax	phosphoethanolamine N-methyltransferase	0.0169	0.2705	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0052	0.0616	0.2465
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0052	0.0616	0.2465
Toxoplasma gondii	AGC kinase	0.0084	0.1197	0.4992
Trypanosoma cruzi	Protein kinase B	0.0029	0.0203	0.0673
Schistosoma mansoni	serine/threonine-protein kinase	0.0029	0.0203	0.0156
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0029	0.0203	0.13
Brugia malayi	C1-like domain containing protein	0.0035	0.0319	0.0381
Echinococcus multilocularis	lamin dm0	0.0032	0.0263	0.023
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.1356	0.1314
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0033	0.0286	0.0254
Echinococcus multilocularis	protein kinase c eta type	0.0033	0.0286	0.0254
Loa Loa (eye worm)	hypothetical protein	0.006	0.0766	0.0854
Brugia malayi	Ras association domain family 1 isoform A	0.0033	0.0286	0.0342
Loa Loa (eye worm)	raf kinase	0.0033	0.0286	0.0319
Plasmodium vivax	thioredoxin reductase, putative	0.0149	0.2349	0.8663
Trichomonas vaginalis	AGC family protein kinase	0.0087	0.124	0.9415
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0033	0.0286	0.0254
Schistosoma mansoni	serine/threonine protein kinase	0.006	0.0766	0.0721
Echinococcus granulosus	lamin	0.0032	0.0263	0.023
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0052	0.0616	0.2135

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.008 uM	Inhibitory potency against mitogen activated protein kinase kinase kinase 1	ChEMBL.	15006386
IC50 (binding)	= 0.008 uM	Inhibitory potency against mitogen activated protein kinase kinase kinase 1	ChEMBL.	15006386
IC50 (functional)	= 0.3 uM	Inhibitory concentration against AP-1 transcription in COS-7 cells	ChEMBL.	15006386

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: CHEMBL34184
PubChem: 22743091

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 49990