TDR Targets

Basic information

Technical information

TDR Targets ID: 502097
Name: ethyl N-[3-[[6-[[(2S)-butan-2-yl]carbamoyl]-5 -methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amin o]-4-methylphenyl]carbamate
MW: 424.496 | Formula: C22H28N6O3
H donors: 3 H acceptors: 4 LogP: 3.57 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)Nc1ccc(c(c1)Nc1ncnn2c1c(C)c(c2)C(=O)N[C@H](CC)C)C
InChi: 1S/C22H28N6O3/c1-6-14(4)25-21(29)17-11-28-19(15(17)5)20(23-12-24-28)27-18-10-16(9-8-13(18)3)26-22(30)31-7-2/h8-12,14H,6-7H2,1-5H3,(H,25,29)(H,26,30)(H,23,24,27)/t14-/m0/s1
InChiKey: WXIRVUHFCVUGCN-AWEZNQCLSA-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

ethyl N-[4-methyl-3-[[5-methyl-6-[[(1S)-1-methylpropyl]carbamoyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenyl]carbamate
N-[4-methyl-3-[[5-methyl-6-[[[(1S)-1-methylpropyl]amino]-oxomethyl]-4-pyrrolo[2,1-f][1,2,4]triazinyl]amino]phenyl]carbamic acid ethyl ester
ethyl N-[3-[[6-[[(2S)-butan-2-yl]carbamoyl]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methyl-phenyl]carbamate
N-[4-methyl-3-[[5-methyl-6-[[(1S)-1-methylpropyl]carbamoyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenyl]carbamic acid ethyl ester
ethyl N-[4-methyl-3-[[5-methyl-6-(sec-butylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenyl]carbamate
N-[4-methyl-3-[[5-methyl-6-[oxo-(sec-butylamino)methyl]-4-pyrrolo[2,1-f][1,2,4]triazinyl]amino]phenyl]carbamic acid ethyl ester
N-[4-methyl-3-[[5-methyl-6-(sec-butylcarbamoyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenyl]carbamic acid ethyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase 14	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania donovani	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania mexicana	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania braziliensis	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Brugia malayi	P38 map kinase family protein 2	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei gambiense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma congolense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma japonicum	ko:K04441 p38 MAP kinase, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania infantum	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 14	360 aa	336 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0037	0.0645	0.0316
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0037	0.0645	0.1133
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0113	0.3997	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.006	0.1644	0.1069
Loa Loa (eye worm)	FAD binding domain-containing protein	0.007	0.2096	0.2075
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.007	0.2096	0.1551
Brugia malayi	FAD binding domain containing protein	0.0113	0.3997	0.3583
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0037	0.0645	0.2536
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0065	0.1871	0.2861
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0065	0.1871	0.4951
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0065	0.1871	0.1311
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.5691	0.554
Brugia malayi	heat shock protein 90	0.0038	0.0675	0.0033
Treponema pallidum	flavodoxin	0.0043	0.0928	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Echinococcus multilocularis	heat shock protein	0.0038	0.0675	0.0348
Echinococcus granulosus	heat shock protein	0.0038	0.0675	0.0348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0113	0.3997	0.6834
Trypanosoma cruzi	target of rapamycin kinase 3	0.0037	0.0645	0.1133
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0078	0.2462	0.1943
Entamoeba histolytica	type A flavoprotein, putative	0.0043	0.0928	0.3701
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0065	0.1871	0.3657
Trypanosoma cruzi	heat shock protein 85, putative	0.0038	0.0675	0.1187
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	0.5691	0.554
Giardia lamblia	Hypothetical protein	0.0101	0.3432	1
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0037	0.0645	0.1532
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.006	0.1644	0.1981
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.006	0.1644	0.289
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0037	0.0645	0.1496
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Leishmania major	hypothetical protein, unknown function	0.0037	0.0645	0.057
Entamoeba histolytica	hypothetical protein	0.0037	0.0645	0.2536
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0037	0.0645	0.1133
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0043	0.0928	0.1631
Brugia malayi	flavodoxin family protein	0.0043	0.0928	0.0303
Entamoeba histolytica	heat shock protein 90, putative	0.0038	0.0675	0.2663
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0037	0.0645	0.0316
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.5691	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0113	0.3997	0.6643
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.006	0.1644	0.6643
Leishmania major	phosphatidylinositol kinase, putative	0.0037	0.0645	0.057
Brugia malayi	Endoplasmin precursor	0.0038	0.0675	0.0033
Entamoeba histolytica	type A flavoprotein, putative	0.0043	0.0928	0.3701
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0645	0.0619
Trypanosoma cruzi	heat shock protein 90, putative	0.003	0.034	0.0597
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0078	0.2462	1
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.006	0.1644	0.4058
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trypanosoma cruzi	heat shock protein 85, putative	0.003	0.034	0.0597
Toxoplasma gondii	FATC domain-containing protein	0.0037	0.0645	0.1496
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.025	1	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.006	0.1644	0.4058
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	0.5691	0.554
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0675	0.0061
Entamoeba histolytica	hypothetical protein	0.0037	0.0645	0.2536
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0078	0.2462	0.6122
Trypanosoma brucei	Heat shock protein 83, putative	0.0038	0.0675	0.0061
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.006	0.1644	0.4058
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0043	0.0928	0.2248
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Entamoeba histolytica	hypothetical protein	0.006	0.1644	0.6643
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0113	0.3997	0.6643
Schistosoma mansoni	heat shock protein	0.0038	0.0675	0.0033
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0037	0.0645	0.1133
Trichomonas vaginalis	sulfite reductase, putative	0.0113	0.3997	1
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0078	0.2462	0.4326
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0645	1
Trichomonas vaginalis	heat shock protein, putative	0.003	0.034	0.0762
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0037	0.0645	0.1133
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0113	0.3997	0.3786
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0037	0.0645	0.1133
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.006	0.1644	0.4219
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0078	0.2462	0.4326
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0645	0.0619
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0065	0.1871	0.1311
Toxoplasma gondii	heat shock protein 90, putative	0.0038	0.0675	0.1613
Loa Loa (eye worm)	phosphatidylinositol 3	0.0065	0.1871	0.1849
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0113	0.3997	0.7023
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.5691	1
Echinococcus multilocularis		0.0065	0.1871	0.1585
Schistosoma mansoni	heat shock protein	0.0038	0.0675	0.0033
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.025	1	1
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.5691	0.554
Echinococcus granulosus	serine protein kinase ATM	0.0037	0.0645	0.0316
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.006	0.1644	0.1069
Plasmodium vivax	flavodoxin domain containing protein	0.0101	0.3432	0.8315
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0928	0.0846
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0023	0.0027	0.0047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0037	0.0645	0.1133
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.006	0.1644	0.4058
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0037	0.0645	0.0316
Plasmodium vivax	heat shock protein 86, putative	0.0038	0.0675	0.0092
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0645	0.1532
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0675	0.0061
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.006	0.1644	0.4058
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0078	0.2462	0.6122
Loa Loa (eye worm)	phosphatidylinositol 3	0.0037	0.0645	0.0619
Entamoeba histolytica	type A flavoprotein, putative	0.0043	0.0928	0.3701
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.006	0.1644	0.6643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0113	0.3997	0.3786
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0065	0.1871	0.1585
Echinococcus granulosus	methionine synthase reductase	0.007	0.2096	0.1818
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0037	0.0645	0.1133
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0113	0.3997	0.3786
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.006	0.1644	0.1069
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0037	0.0645	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.006	0.1644	0.6643
Entamoeba histolytica	type A flavoprotein, putative	0.0043	0.0928	0.3701
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0113	0.3997	0.6643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Giardia lamblia	Hypothetical protein	0.0037	0.0645	0.0986
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0037	0.0645	0.1496
Entamoeba histolytica	hypothetical protein	0.0037	0.0645	0.2536
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Loa Loa (eye worm)	phosphatidylinositol 3	0.025	1	1
Loa Loa (eye worm)	flavodoxin family protein	0.0043	0.0928	0.0904
Entamoeba histolytica	hypothetical protein	0.0037	0.0645	0.2536
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0037	0.0645	0.057
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0037	0.0645	0.1496
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0078	0.2462	0.2197
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.006	0.1644	0.4058
Leishmania major	p450 reductase, putative	0.0113	0.3997	0.6834
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.025	1	1
Echinococcus multilocularis	Zinc finger, PHD finger	0.006	0.1644	0.1351
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	0.5691	0.568
Trypanosoma cruzi	p450 reductase, putative	0.0113	0.3997	0.7023
Leishmania major	hypothetical protein, conserved	0.0037	0.0645	0.057
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0065	0.1871	0.3287
Trypanosoma cruzi	Heat shock protein 83, putative	0.0038	0.0675	0.1187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0675	0.0061
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0078	0.2462	0.2197
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0037	0.0645	0.2536
Trichomonas vaginalis	heat shock protein, putative	0.003	0.034	0.0762
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.025	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Loa Loa (eye worm)	phosphatidylinositol 3	0.0037	0.0645	0.0619
Echinococcus multilocularis	methionine synthase reductase	0.007	0.2096	0.1818
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Toxoplasma gondii	heat shock protein HSP90	0.0038	0.0675	0.1613
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.5691	0.554
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.006	0.1644	0.2983
Schistosoma mansoni	endoplasmin	0.0038	0.0675	0.0033
Toxoplasma gondii	flavodoxin domain-containing protein	0.0056	0.1493	0.4737
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.006	0.1644	0.1351
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.006	0.1644	0.1069
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0078	0.2462	0.2441
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Loa Loa (eye worm)	endoplasmin	0.0038	0.0675	0.065
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0037	0.0645	0.057
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0037	0.0645	0.057
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0113	0.3997	0.7023
Trichomonas vaginalis	heat shock protein, putative	0.0038	0.0675	0.161
Loa Loa (eye worm)	hypothetical protein	0.006	0.1644	0.1622
Trypanosoma brucei	heat shock protein 90, putative	0.0038	0.0675	0.0061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0037	0.0645	0.0986
Echinococcus multilocularis	heat shock protein 90	0.0038	0.0675	0.0348
Schistosoma mansoni	endoplasmin	0.0038	0.0675	0.0033
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0037	0.0645	0.1133
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0037	0.0645	0.2536
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0037	0.0645	0.057
Trichomonas vaginalis	heat shock protein, putative	0.003	0.034	0.0762
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.006	0.1644	0.4058
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0037	0.0645	0.0316
Brugia malayi	flavodoxin family protein	0.0113	0.3997	0.3583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Loa Loa (eye worm)	hypothetical protein	0.025	1	1
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0675	0.0061
Leishmania major	phosphatidylinositol 3-kinase, putative	0.006	0.1644	0.2438
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0038	0.0675	0.1086
Loa Loa (eye worm)	phosphatidylinositol 3	0.0037	0.0645	0.0619
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0078	0.2462	0.3966
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.006	0.1644	0.1351
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.5691	0.554
Onchocerca volvulus		0.025	1	0.5
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0037	0.0645	0.0316
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.006	0.1644	0.1351
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0078	0.2462	0.1943
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0043	0.0928	0.2248
Toxoplasma gondii	flavodoxin domain-containing protein	0.0056	0.1493	0.4737
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.006	0.1644	0.6643
Plasmodium falciparum	heat shock protein 90	0.0038	0.0675	0.161
Loa Loa (eye worm)	phosphatidylinositol kinase	0.025	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.006	0.1644	0.289
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.006	0.1644	0.4058
Plasmodium vivax	endoplasmin, putative	0.0038	0.0675	0.0092
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0043	0.0928	0.2248
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0037	0.0645	0.057
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Leishmania major	hypothetical protein, conserved	0.0043	0.0928	0.11
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0037	0.0645	0.0316
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.006	0.1644	0.4058
Loa Loa (eye worm)	phosphatidylinositol 3	0.025	1	1
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.006	0.1644	0.1351
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.006	0.1644	0.6643
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0037	0.0645	0.1133
Brugia malayi	P38 map kinase family protein 2	0.0152	0.5691	0.5394
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0675	0.0061
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.025	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0038	0.0675	0.1187
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0113	0.3997	0.7023
Trypanosoma cruzi	heat shock protein 85, putative	0.0038	0.0675	0.1187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Echinococcus multilocularis	serine protein kinase ATM	0.0037	0.0645	0.0316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Giardia lamblia	Nitric oxide synthase, inducible	0.0101	0.3432	1
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Brugia malayi	FAD binding domain containing protein	0.007	0.2096	0.1551
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Loa Loa (eye worm)	heat shock protein 90	0.0038	0.0675	0.065
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0043	0.0928	0.0562
Loa Loa (eye worm)	hypothetical protein	0.0113	0.3997	0.3981
Onchocerca volvulus		0.025	1	0.5
Echinococcus granulosus	heat shock protein 90	0.0038	0.0675	0.0348
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0043	0.0928	0.2248
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0078	0.2462	0.3601
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.003	0.034	0.5
Schistosoma mansoni	cytochrome P450 reductase	0.0113	0.3997	0.3583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Schistosoma mansoni	diflavin oxidoreductase	0.0056	0.1493	0.0907
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.025	1	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0065	0.1871	0.3287
Trypanosoma cruzi	heat shock protein 90, putative	0.0038	0.0675	0.1187
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0675	0.0061
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0037	0.0645	0.0316
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0675	0.0061
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0037	0.0645	0.0316
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0037	0.0645	0.2536
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0037	0.0645	0.1532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Entamoeba histolytica	heat shock protein 90, putative	0.0038	0.0675	0.2663
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0043	0.0928	0.2248
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	0.5691	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0088	0.2871	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0065	0.1871	0.2429
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0057	0.1531	0.0947
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0113	0.3997	1
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0101	0.3432	0.8573
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.006	0.1644	0.4058
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0056	0.1462	0.4618
Trypanosoma brucei	heat shock protein, putative	0.0038	0.0675	0.0061
Entamoeba histolytica	protein kinase rad3, putative	0.0037	0.0645	0.2536
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Plasmodium falciparum	nitric oxide synthase, putative	0.0113	0.3997	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.006	0.1644	0.1069
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.006	0.1644	0.1069
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0043	0.0928	0.1631
Loa Loa (eye worm)	phosphatidylinositol 3	0.006	0.1644	0.1622
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.006	0.1644	0.1351
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0037	0.0645	0.1532
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0037	0.0645	0.057
Giardia lamblia	GTOR	0.0037	0.0645	0.0986
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0645	0.1532
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0113	0.3997	0.3981
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Chlamydia trachomatis	sulfite reductase	0.007	0.2096	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.006	0.1644	0.289
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0113	0.3997	0.3786
Leishmania major	cytochrome P450 reductase, putative	0.0101	0.3432	0.5778
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0113	0.3997	0.6643
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0043	0.0928	0.1631
Trypanosoma brucei	heat shock protein 90, putative	0.0038	0.0675	0.0061
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.006	0.1644	0.5316
Leishmania major	heat shock protein 83-1	0.0038	0.0675	0.0627
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0043	0.0928	0.2248
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0037	0.0645	0.1496
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.006	0.1644	0.6643
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	0.5691	1
Entamoeba histolytica	type A flavoprotein, putative	0.0043	0.0928	0.3701
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0065	0.1871	0.4629

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.6 nM	Inhibition of p38alpha (unknown origin)	ChEMBL.	18072718
IC50 (binding)	= 5.6 nM	Inhibition of p38alpha (unknown origin)	ChEMBL.	18072718
IC50 (functional)	= 47 nM	Inhibition of LPS-induced TNFalpha production in human PBMCs	ChEMBL.	18072718
IC50 (functional)	= 47 nM	Inhibition of LPS-induced TNFalpha production in human PBMCs	ChEMBL.	18072718

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18072718

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: CHEMBL252373
PubChem: 24754379

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 502097