TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 420.502 | Formula: C23H21FN4OS
H donors: 3 H acceptors: 3 LogP: 5 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)c1nc([nH]c1c1ccnc(c1)N[C@H](c1ccccc1)C)[S@@+](C)[O-]
InChi: 1S/C23H21FN4OS/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)30(2)29)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)/t15-,30+/m0/s1
InChiKey: LDYVDKCSGKMMHS-INCQDFKNSA-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

No synonyms found for this compound

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
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	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	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
Echinococcus multilocularis	mitogen activated protein kinase 14	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 major	mitogen-activated protein kinase 3, putative,map 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
Leishmania braziliensis	mitogen-activated protein kinase 3, putative,map 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
Leishmania donovani	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
Candida albicans	MAP kinase involved in osmoregulation	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
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	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
Schistosoma japonicum	ko:K04441 p38 MAP kinase, putative	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
Echinococcus multilocularis	mitogen activated protein kinase 11	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
Mycobacterium ulcerans	hypothetical protein	0.0009	0.0007	0.0016
Mycobacterium ulcerans	non-heme haloperoxidase Hpx	0.0009	0.0007	0.0016
Mycobacterium ulcerans	acyl-CoA synthetase	0.0009	0.0007	0.0016
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.1919	0.4381
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	0.1919	0.4381
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0189	0.241	0.241
Entamoeba histolytica	iron-sulfur flavoprotein, putative	0.0189	0.241	1
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0303	0.0692
Echinococcus multilocularis	inositol monophosphatase 1	0.0043	0.0454	0.1036
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0303	0.6625
Mycobacterium ulcerans	epoxide hydrolase EphF	0.0009	0.0007	0.0016
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Schistosoma mansoni	hydrolase	0.0009	0.0007	0.0016
Mycobacterium tuberculosis	Possible haloalkane dehalogenase	0.0009	0.0007	0.0016
Entamoeba histolytica	hypothetical protein	0.0026	0.0223	0.0927
Loa Loa (eye worm)	abhydrolase domain-containing protein 2	0.0009	0.0007	0.0016
Mycobacterium ulcerans	bromoperoxidase BpoC	0.0009	0.0007	0.0016
Trichomonas vaginalis	FMN-dependent NADH-azoreductase, putative	0.0189	0.241	0.241
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0192	0.0999
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0192	0.6328
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0192	0.6328
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0043	0.0454	0.1018
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.241	0.241
Onchocerca volvulus	Epoxide hydrolase 1 homolog	0.0009	0.0007	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0192	0.0999
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.241	0.241
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0009	0.0007	0.0238
Mycobacterium ulcerans	hypothetical protein	0.0009	0.0007	0.0016
Mycobacterium tuberculosis	Probable oxidoreductase	0.0009	0.0007	0.0016
Mycobacterium ulcerans	proline iminopeptidase PIP	0.0009	0.0007	0.0016
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0009	0.0007	0.0007
Echinococcus multilocularis	lysosomal acid lipase:cholesteryl ester	0.0009	0.0007	0.0016
Mycobacterium ulcerans	short chain dehydrogenase	0.0009	0.0007	0.0016
Mycobacterium ulcerans	hydrolase	0.0009	0.0007	0.0016
Echinococcus multilocularis	abhydrolase domain containing protein 11	0.0009	0.0007	0.0016
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0192	0.0999
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	0.1919	1
Plasmodium vivax	hypothetical protein, conserved	0.0009	0.0007	0.0238
Trichomonas vaginalis	hydrolase, putative	0.0009	0.0007	0.0007
Mycobacterium ulcerans	hydrolase	0.0009	0.0007	0.0016
Trichomonas vaginalis	ran, putative	0.0023	0.0192	0.0192
Onchocerca volvulus	Lipase homolog	0.0009	0.0007	1
Mycobacterium ulcerans	peroxidase BpoB	0.0009	0.0007	0.0016
Trypanosoma cruzi	hydrolase-like protein, putative	0.0009	0.0007	0.0038
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0303	0.1579
Entamoeba histolytica	modulator of drug activity B homolog, putative	0.0189	0.241	1
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0192	0.4133
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0454	0.1036
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0009	0.0007	0.0007
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0009	0.0007	0.0007
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0007	0.0016
Mycobacterium leprae	POSSIBLE SECRETED PROTEASE	0.0009	0.0007	0.0183
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0303	0.1579
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.0454	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0007	0.0016
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0009	0.0007	0.0038
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.0007	0.0038
Loa Loa (eye worm)	ab-hydrolase associated lipase region family protein	0.0009	0.0007	0.0016
Mycobacterium ulcerans	hypothetical protein	0.0009	0.0007	0.0016
Schistosoma mansoni	hypothetical protein	0.0336	0.438	1
Mycobacterium ulcerans	epoxide hydrolase EphB	0.0009	0.0007	0.0016
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Brugia malayi	RNA, U transporter 1	0.0089	0.108	0.5628
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0038	0.0394	0.0883
Mycobacterium ulcerans	epoxide hydrolase EphE	0.0009	0.0007	0.0016
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0223	0.113
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0009	0.0007	0.0007
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0009	0.0007	0.0007
Schistosoma mansoni	ran	0.0023	0.0192	0.0438
Echinococcus multilocularis	abhydrolase domain containing 3	0.0009	0.0007	0.0016
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0454	0.1036
Mycobacterium leprae	Probable exported protease	0.0009	0.0007	0.0183
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0454	0.2335
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0009	0.0007	0.0016
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0454	0.2364
Trypanosoma cruzi	hydrolase-like protein	0.0009	0.0007	0.0038
Echinococcus granulosus	abhydrolase domain containing protein	0.0009	0.0007	0.0016
Echinococcus granulosus	inositol monophosphatase 1	0.0043	0.0454	0.1036
Entamoeba histolytica	hypothetical protein	0.0009	0.0007	0.003
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0009	0.0007	0.0038
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.241	0.241
Mycobacterium ulcerans	haloalkane dehalogenase	0.0009	0.0007	0.0016
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.241	0.241
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.0454	0.0454
Echinococcus multilocularis	lysosomal acid lipase:cholesteryl ester	0.0009	0.0007	0.0016
Mycobacterium leprae	Probable homoserine o-acetyltransferase MetA	0.0009	0.0007	0.0183
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0189	0.241	0.241
Mycobacterium tuberculosis	Probable exported protease	0.0009	0.0007	0.0016
Mycobacterium ulcerans	2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD	0.0009	0.0007	0.0016
Brugia malayi	alpha/beta hydrolase	0.0009	0.0007	0.0038
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	0.1919	0.4381
Mycobacterium ulcerans	exported protease	0.0009	0.0007	0.0016
Plasmodium vivax	hypothetical protein, conserved	0.0009	0.0007	0.0238
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Schistosoma mansoni	importin beta-1	0.0031	0.0303	0.0692
Trichomonas vaginalis	conserved hypothetical protein	0.0567	0.7472	0.7472
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0454	0.2364
Trichomonas vaginalis	inositol monophosphatase, putative	0.0043	0.0454	0.0454
Mycobacterium tuberculosis	Probable carboxylesterase CaeA	0.0009	0.0007	0.0016
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.1919	1
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0303	1
Plasmodium vivax	alpha/beta hydrolase, putative	0.0009	0.0007	0.0238
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0454	0.2364
Giardia lamblia	ENC6 protein	0.0009	0.0007	0.0007
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0009	0.0007	0.0007
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	0.1919	0.4381
Brugia malayi	Hypothetical 54.7 kDa protein F37A4.1 in chromosome III	0.0009	0.0007	0.0038
Entamoeba histolytica	hypothetical protein	0.0189	0.241	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.1919	0.4381
Echinococcus multilocularis	snurportin 1	0.0336	0.438	1
Mycobacterium ulcerans	hypothetical protein	0.0009	0.0007	0.0016
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0192	0.0999
Trypanosoma cruzi	hydrolase-like protein, putative	0.0009	0.0007	0.0038
Mycobacterium leprae	Probable exported protease	0.0009	0.0007	0.0183
Schistosoma mansoni	family S33 non-peptidase homologue (S33 family)	0.0009	0.0007	0.0016
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0009	0.0007	0.0183
Brugia malayi	Importin beta-1 subunit	0.0031	0.0303	0.1579
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.1919	0.4381
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0223	0.0223
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.241	0.241
Echinococcus multilocularis	abhydrolase domain containing protein 16A	0.0009	0.0007	0.0016
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	0.1919	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0009	0.0007	0.0007
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0043	0.0454	1
Echinococcus multilocularis	abhydrolase domain containing protein	0.0009	0.0007	0.0016
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.241	0.241
Echinococcus granulosus	abhydrolase domain containing protein 11	0.0009	0.0007	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0303	0.0692
Brugia malayi	UPF0017 protein CG3488	0.0009	0.0007	0.0038
Echinococcus multilocularis	abhydrolase domain containing protein 3	0.0009	0.0007	0.0016
Brugia malayi	Alpha/beta hydrolase	0.0009	0.0007	0.0038
Mycobacterium ulcerans	homoserine O-acetyltransferase	0.0009	0.0007	0.0016
Mycobacterium ulcerans	lipase/esterase	0.0009	0.0007	0.0016
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.0007	0.0038
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0192	0.0438
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.241	0.241
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Trypanosoma brucei	hydrolase, alpha/beta fold family, putative	0.0009	0.0007	0.0038
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.241	0.241
Mycobacterium tuberculosis	Conserved protein	0.0009	0.0007	0.0016
Echinococcus granulosus	abhydrolase domain containing protein 3	0.0009	0.0007	0.0016
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0192	0.0438
Mycobacterium tuberculosis	Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase)	0.0009	0.0007	0.0016
Entamoeba histolytica	Ran family GTPase	0.0023	0.0192	0.0796
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.1919	1
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.241	0.241
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Trypanosoma cruzi	hypothetical protein, conserved	0.0009	0.0007	0.0038
Mycobacterium ulcerans	oxidoreductase	0.0009	0.0007	0.0016
Echinococcus granulosus	snurportin 1	0.0336	0.438	1
Mycobacterium tuberculosis	Probable homoserine O-acetyltransferase MetA (homoserine O-trans-acetylase) (homoserine transacetylase) (HTA)	0.0009	0.0007	0.0016
Mycobacterium tuberculosis	Probable haloalkane dehalogenase	0.0009	0.0007	0.0016
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0223	0.0223
Trypanosoma brucei	hydrolase, alpha/beta fold family, putative	0.0009	0.0007	0.0038
Plasmodium vivax	hypothetical protein, conserved	0.0009	0.0007	0.0238
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0043	0.0454	0.1883
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Plasmodium falciparum	importin beta, putative	0.0031	0.0303	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0223	0.0223
Leishmania major	GTP-binding protein, putative	0.0023	0.0192	0.0965
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0342	0.4458	1
Brugia malayi	Inositol-1	0.0043	0.0454	0.2364
Mycobacterium ulcerans	haloalkane dehalogenase	0.0009	0.0007	0.0016
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0303	0.0692
Entamoeba histolytica	alpha/beta hydrolase fold protein, putative	0.0009	0.0007	0.003
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.1919	0.4381
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0038	0.0394	1
Mycobacterium leprae	POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE)	0.0009	0.0007	0.0183
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.0009	0.0007	0.0038
Mycobacterium tuberculosis	Possible epoxide hydrolase EphE (epoxide hydratase) (arene-oxide hydratase)	0.0009	0.0007	0.0016
Plasmodium falciparum	acid cluster protein 33 homologue, putative	0.0009	0.0007	0.0238
Mycobacterium tuberculosis	Possible epoxide hydrolase EphF (epoxide hydratase) (arene-oxide hydratase)	0.0009	0.0007	0.0016
Schistosoma mansoni	ran	0.0023	0.0192	0.0438
Onchocerca volvulus	Lipase homolog	0.0009	0.0007	1
Entamoeba histolytica	alpha/beta hydrolase domain protein, putative	0.0009	0.0007	0.003
Mycobacterium ulcerans	exported protease	0.0009	0.0007	0.0016
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Mycobacterium ulcerans	lipase/esterase	0.0009	0.0007	0.0016
Echinococcus granulosus	lysosomal acid lipase:cholesteryl ester	0.0009	0.0007	0.0016
Loa Loa (eye worm)	hydrolase	0.0009	0.0007	0.0016
Loa Loa (eye worm)	inositol-1	0.0043	0.0454	0.1036
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0223	0.1164
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0192	0.0438
Mycobacterium tuberculosis	Possible peroxidase BpoB (non-haem peroxidase)	0.0009	0.0007	0.0016
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0043	0.0454	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0336	0.438	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0189	0.241	0.241
Mycobacterium ulcerans	lignin peroxidase LipJ	0.0009	0.0007	0.0016
Brugia malayi	P38 map kinase family protein 2	0.0152	0.1919	1
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0192	0.0192
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0342	0.4458	1
Plasmodium falciparum	epoxide hydrolase 1	0.0009	0.0007	0.0238

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.025 uM	Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay	ChEMBL.	21449619
IC50 (binding)	= 10.02 uM	Inhibition of p38 alpha MAPK in human whole blood assessed as suppression of LPS-induced TNF-alpha release by immunosorbent non-radioactive enzyme assay	ChEMBL.	21449619
Ratio IC50 (binding)	= 0.16	Inhibition of p38 alpha MAPK in human whole blood assessed as suppression of LPS-induced TNF-alpha release by immunosorbent non-radioactive enzyme assay relative to SB203580	ChEMBL.	21449619
Ratio IC50 (binding)	= 1.12	Inhibition of p38 alpha MAPK in human whole blood assessed as phosphorylation of ATF-2 by immunosorbent non-radioactive enzyme assay relative to SB203580	ChEMBL.	21449619

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: CHEMBL1773520

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1514942