TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 533.081 | Formula: C30H29ClN2O3S
H donors: 1 H acceptors: 3 LogP: 6.48 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1n2CC(Cc2c(c1c1ccc(cc1)Cl)c1ccccc1)(C)C
InChi: 1S/C30H29ClN2O3S/c1-20-9-15-24(16-10-20)37(35,36)32-27(34)17-25-28(22-11-13-23(31)14-12-22)29(21-7-5-4-6-8-21)26-18-30(2,3)19-33(25)26/h4-16H,17-19H2,1-3H3,(H,32,34)
InChiKey: ZMDXEQKJGJULIF-UHFFFAOYSA-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	prostaglandin E synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	membrane associated proteins in eicosanoid and glutathione metabolism family member	Get druggable targets OG5_131112	All targets in OG5_131112
Schistosoma japonicum	ko:K00799 glutathione S-transferase [EC2.5.1.18], putative	Get druggable targets OG5_131112	All targets in OG5_131112
Schistosoma japonicum	ko:K00799 glutathione S-transferase [EC2.5.1.18], putative	Get druggable targets OG5_131112	All targets in OG5_131112

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
Loa Loa (eye worm)	hypothetical protein	0.041	0.0796	0.0796
Echinococcus multilocularis	H(+):Cl() exchange transporter 7	0.0176	0.0135	0.0293
Echinococcus granulosus	neuroglian	0.0338	0.0593	0.1284
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0344	0.0609	0.5
Brugia malayi	hypothetical protein	0.0297	0.0477	0.0477
Brugia malayi	ancient conserved domain protein 2	0.0176	0.0135	0.0135
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0143	0.0043	0.0093
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0297	0.0477	0.0477
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.3669	1	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.0135	0.0135
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0143	0.0043	0.0093
Brugia malayi	Protein kinase domain containing protein	0.0921	0.2239	0.2239
Toxoplasma gondii	CBS family protein	0.0176	0.0135	0.1039
Loa Loa (eye worm)	hypothetical protein	0.0404	0.0779	0.0779
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.0921	0.2239	0.2239
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.063	0.1418	0.1418
Schistosoma mansoni	protein kinase	0.0642	0.145	0.3139
Schistosoma mansoni	tyrosine kinase	0.036	0.0654	0.1415
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0176	0.0135	0.0135
Giardia lamblia	Kinase, CAMK CAMKL	0.0344	0.0609	0.1068
Schistosoma mansoni	chloride channel protein	0.0176	0.0135	0.0293
Giardia lamblia	Kinase, CAMK CAMKL	0.0344	0.0609	0.1068
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.036	0.0654	0.1415
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.036	0.0654	0.1415
Schistosoma mansoni	chloride channel protein	0.0176	0.0135	0.0293
Onchocerca volvulus		0.0404	0.0779	0.085
Loa Loa (eye worm)	hypothetical protein	0.0176	0.0135	0.0135
Leishmania major	serine/threonine protein kinase, putative,protein kinase, putative	0.0344	0.0609	0.2324
Echinococcus multilocularis	Immunoglobulin	0.0282	0.0434	0.094
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0176	0.0135	0.0293
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0176	0.0135	0.5
Loa Loa (eye worm)	CAMK/CAMKL/BRSK protein kinase	0.0344	0.0609	0.0609
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Schistosoma mansoni	nephrin	0.0143	0.0043	0.0093
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0176	0.0135	0.0293
Echinococcus multilocularis	microsomal glutathione S transferase 3	0.0135	0.002	0.0043
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0282	0.0434	0.094
Onchocerca volvulus		0.0176	0.0135	0.0148
Brugia malayi	Fibronectin type III domain containing protein	0.0297	0.0477	0.0477
Trypanosoma brucei	5'-AMP-activated protein kinase catalytic subunit alpha, putative	0.0344	0.0609	0.2324
Echinococcus granulosus	5' AMP activated protein kinase subunit beta 1	0.0482	0.0999	0.2161
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0258	0.0367	0.0794
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.036	0.0654	0.1415
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.036	0.0654	0.1415
Schistosoma mansoni	cell adhesion molecule	0.0143	0.0043	0.0093
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0176	0.0135	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0449	0.0905	0.1959
Loa Loa (eye worm)	hypothetical protein	0.0333	0.0578	0.0578
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.0176	0.0135	0.5
Treponema pallidum	Mg2+ transport protein (mgtE)	0.0176	0.0135	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.1764	0.4621	1
Giardia lamblia	5-AMP-activated protein kinase, gamma-1 subunit	0.1746	0.4569	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0143	0.0043	0.0043
Echinococcus multilocularis	activin receptor type	0.1561	0.4046	0.8757
Loa Loa (eye worm)	TK/EPH protein kinase	0.0559	0.1218	0.1218
Echinococcus granulosus	serine:threonine kinase SAD 1	0.0344	0.0609	0.1318
Brugia malayi	Voltage gated chloride channel family protein	0.0176	0.0135	0.0135
Mycobacterium tuberculosis	Probable conserved transmembrane alanine and leucine rich protein	0.0176	0.0135	0.5
Mycobacterium ulcerans	hypothetical protein	0.0176	0.0135	0.5
Giardia lamblia	Kinase, AGC AKT	0.0542	0.1168	0.233
Brugia malayi	ancient conserved domain protein 4	0.0176	0.0135	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0434	0.0434
Echinococcus multilocularis	Immunoglobulin	0.0282	0.0434	0.094
Toxoplasma gondii	chloride transporter, chloride channel (ClC) family protein	0.0176	0.0135	0.1039
Brugia malayi	5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein	0.0898	0.2174	0.2174
Schistosoma mansoni	nephrin	0.0353	0.0636	0.1377
Echinococcus granulosus	contactin	0.0143	0.0043	0.0093
Mycobacterium ulcerans	hypothetical protein	0.0176	0.0135	0.5
Echinococcus multilocularis	5' AMP activated protein kinase subunit gamma	0.1746	0.4569	0.9888
Schistosoma mansoni	serine/threonine protein kinase	0.0344	0.0609	0.1318
Brugia malayi	chloride channel protein 7	0.0176	0.0135	0.0135
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0265	0.0385	0.0834
Echinococcus multilocularis	TGF beta receptor type 1	0.0785	0.1855	0.4014
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Echinococcus granulosus	microsomal glutathione S transferase 3	0.0135	0.002	0.0043
Plasmodium falciparum	serine/threonine protein kinase KIN	0.0344	0.0609	1
Schistosoma mansoni	protein kinase	0.0785	0.1855	0.4014
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Loa Loa (eye worm)	TK protein kinase	0.031	0.0512	0.0512
Echinococcus granulosus	Immunoglobulin	0.0282	0.0434	0.094
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Mycobacterium ulcerans	hypothetical protein	0.0176	0.0135	0.5
Toxoplasma gondii	histone kinase SNF1, putative	0.0344	0.0609	0.529
Loa Loa (eye worm)	CAMK/CAMKL/AMPK protein kinase	0.1764	0.4621	0.4621
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0143	0.0043	0.0093
Treponema pallidum	hemolysin (tlyC)	0.0176	0.0135	0.5
Loa Loa (eye worm)	hypothetical protein	0.0297	0.0477	0.0477
Echinococcus granulosus	c src tyrosine kinase	0.0146	0.0051	0.0111
Wolbachia endosymbiont of Brugia malayi	hemolysin	0.0176	0.0135	0.5
Mycobacterium leprae	Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450)	0.0176	0.0135	0.5
Mycobacterium ulcerans	cystathionine beta-synthase	0.0176	0.0135	0.5
Brugia malayi	hypothetical protein	0.0509	0.1076	0.1076
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0344	0.0609	1
Echinococcus multilocularis	SNF4:AMP activated protein kinase gamma subunit	0.0176	0.0135	0.0293
Mycobacterium leprae	PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD)	0.0176	0.0135	0.5
Wolbachia endosymbiont of Brugia malayi	Mg2+/Co2+ transporter	0.0176	0.0135	0.5
Brugia malayi	EST embl\|AI107989\|AI107989 comes from the 3' UTR, putative	0.1764	0.4621	0.4621
Echinococcus multilocularis	5' AMP activated protein kinase subunit beta 1	0.0482	0.0999	0.2161
Echinococcus granulosus	roundabout 2	0.0143	0.0043	0.0093
Echinococcus granulosus	AMPK beta subunit	0.0898	0.2174	0.4705
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Brugia malayi	loechrig isoform VII	0.1746	0.4569	0.4569
Echinococcus multilocularis	AMPK beta subunit	0.0898	0.2174	0.4705
Leishmania major	protein kinase, putative,SNF1-related protein kinases, putative	0.0344	0.0609	0.2324
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Brugia malayi	ribosomal protein S6 kinase alpha 3	0.0542	0.1168	0.1168
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Echinococcus granulosus	tyrosine protein kinase HCK	0.0258	0.0367	0.0794
Trypanosoma brucei	5'-AMP-activated protein kinase subunit beta	0.0898	0.2174	1
Mycobacterium tuberculosis	Conserved protein	0.0176	0.0135	0.5
Brugia malayi	protein C17H12.11	0.0509	0.1076	0.1076
Brugia malayi	ephrin receptor 1 precursor	0.0235	0.0302	0.0302
Echinococcus multilocularis	c src tyrosine kinase	0.0146	0.0051	0.0111
Echinococcus granulosus	tyrosine protein kinase Src64B	0.036	0.0654	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0333	0.0578	0.0578
Brugia malayi	CLC chloride channel protein	0.0176	0.0135	0.0135
Echinococcus granulosus	tyrosine protein kinase Fyn	0.036	0.0654	0.1415
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0146	0.0051	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0344	0.0609	0.0609
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0434	0.0434
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0143	0.0043	0.0043
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0282	0.0434	0.094
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.036	0.0654	0.1415
Toxoplasma gondii	IMP dehydrogenas	0.0176	0.0135	0.1039
Loa Loa (eye worm)	bone morphogenic protein 6	0.0321	0.0544	0.0544
Echinococcus multilocularis	tyrosine protein kinase Srms	0.031	0.0512	0.1108
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.036	0.0654	0.1415
Loa Loa (eye worm)	chloride channel protein 7	0.0176	0.0135	0.0135
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0176	0.0135	0.5
Mycobacterium tuberculosis	Hypoxic response protein 1 Hrp1	0.0176	0.0135	0.5
Schistosoma mansoni	membrane associated proteins in eicosanoid and glutathione metabolism family member	0.059	0.1303	0.2821
Wolbachia endosymbiont of Brugia malayi	Mg/Co/Ni transporter MgtE	0.0176	0.0135	0.5
Echinococcus granulosus	SNF4:AMP activated protein kinase gamma subunit	0.0176	0.0135	0.0293
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0143	0.0043	0.0093
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.031	0.0512	0.1108
Schistosoma mansoni	serine/threonine protein kinase	0.0344	0.0609	0.1318
Echinococcus granulosus	roundabout 2	0.0425	0.0839	0.1816
Echinococcus granulosus	ephrin type A receptor 4 A	0.0449	0.0905	0.1959
Loa Loa (eye worm)	hypothetical protein	0.0509	0.1076	0.1076
Echinococcus granulosus	H:Cl exchange transporter 7	0.0176	0.0135	0.0293
Brugia malayi	Transforming growth factor beta like domain containing protein	0.2563	0.6877	0.6877
Schistosoma mansoni	tyrosine kinase	0.0173	0.0127	0.0274
Echinococcus granulosus	anti dorsalizing morphogenetic protein 1a	0.0321	0.0544	0.1178
Schistosoma mansoni	microsomal glutathione s-transferase	0.0135	0.002	0.0043
Schistosoma mansoni	protein kinase subunit beta	0.0482	0.0999	0.2161
Echinococcus granulosus	TGF beta receptor type 1	0.0785	0.1855	0.4014
Loa Loa (eye worm)	hypothetical protein	0.041	0.0796	0.0796
Echinococcus granulosus	activin receptor type	0.1561	0.4046	0.8757
Onchocerca volvulus	Alicorn homolog	0.0784	0.1853	0.2023
Echinococcus multilocularis	anti dorsalizing morphogenetic protein 1a	0.0321	0.0544	0.1178
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0176	0.0135	0.0293
Echinococcus multilocularis	roundabout 2	0.0425	0.0839	0.1816
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0143	0.0043	0.0093
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0265	0.0385	0.0834
Schistosoma mansoni	serine/threonine protein kinase	0.063	0.1418	0.3069
Loa Loa (eye worm)	hypothetical protein	0.0297	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0176	0.0135	0.0135
Echinococcus multilocularis	5' AMP activated protein kinase subunit gamma	0.157	0.4072	0.8812
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Mycobacterium ulcerans	transcriptional regulator	0.0176	0.0135	0.5
Echinococcus granulosus	H:Cl exchange transporter 3	0.0176	0.0135	0.0293
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0176	0.0135	0.5
Loa Loa (eye worm)	5'-AMP-activated protein kinase	0.0898	0.2174	0.2174
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Trypanosoma cruzi	SNF1-related protein kinase regulatory subunit beta, putative	0.0898	0.2174	1
Echinococcus granulosus	roundabout 2	0.0143	0.0043	0.0093
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0176	0.0135	0.0135
Schistosoma mansoni	tyrosine kinase	0.0146	0.0051	0.0111
Schistosoma mansoni	serine/threonine protein kinase	0.0344	0.0609	0.1318
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0155	0.0075	0.0075
Echinococcus granulosus	5' AMP activated protein kinase catalytic	0.1764	0.4621	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0146	0.0051	0.0111
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Schistosoma mansoni	protein kinase subunit gamma	0.1746	0.4569	0.9888
Echinococcus granulosus	defective proboscis extension response	0.0282	0.0434	0.094
Echinococcus multilocularis	5' AMP activated protein kinase catalytic	0.1764	0.4621	1
Schistosoma mansoni	tyrosine kinase	0.0146	0.0051	0.0111
Onchocerca volvulus	Tyrosine kinase homolog	0.3371	0.916	1
Loa Loa (eye worm)	camk/mapkapk/mnk protein kinase	0.2633	0.7075	0.7075
Schistosoma mansoni	neuroglian	0.0143	0.0043	0.0093
Schistosoma mansoni	ephrin receptor	0.0449	0.0905	0.1959
Echinococcus multilocularis	H(+):Cl() exchange transporter 4	0.0176	0.0135	0.0293
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0143	0.0043	0.0043
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0282	0.0434	0.094
Leishmania major	hypothetical protein, conserved	0.0898	0.2174	1
Onchocerca volvulus		0.327	0.8874	0.9688
Giardia lamblia	5-AMP-activated protein kinase, beta-1 subunit	0.0898	0.2174	0.4598
Echinococcus multilocularis	serine:threonine protein kinase receptor R3	0.0894	0.2162	0.4678
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.063	0.1418	0.3069
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.063	0.1418	0.3069
Brugia malayi	Protein kinase domain containing protein	0.2633	0.7075	0.7075
Brugia malayi	bone morphogenetic protein type 1 receptor	0.0818	0.195	0.195
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.036	0.0654	0.1415
Echinococcus granulosus	H:Cl exchange transporter 4	0.0176	0.0135	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0043	0.0043
Brugia malayi	5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein	0.0898	0.2174	0.2174
Chlamydia trachomatis	GutQ/KpsF family sugar-phosphate isomerase	0.0176	0.0135	0.5
Schistosoma mansoni	vesicular amine transporter	0.0282	0.0434	0.094
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0434	0.0434
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.036	0.0654	0.1415
Schistosoma mansoni	cell adhesion molecule	0.0143	0.0043	0.0093
Echinococcus granulosus	tyrosine protein kinase Fyn	0.036	0.0654	0.1415
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0143	0.0043	0.0093
Echinococcus multilocularis	roundabout 2	0.0143	0.0043	0.0093
Loa Loa (eye worm)	TK protein kinase	0.0258	0.0367	0.0367
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Brugia malayi	putative serine/threonine kinase SADA gamma	0.0344	0.0609	0.0609
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0176	0.0135	0.0293
Brugia malayi	Tyrosine-protein kinase abl-1	0.0146	0.0051	0.0051
Mycobacterium tuberculosis	Conserved protein	0.0176	0.0135	0.5
Echinococcus multilocularis	H(+):Cl() exchange transporter 3	0.0176	0.0135	0.0293
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0143	0.0043	0.0043
Chlamydia trachomatis	Mg++ transporter	0.0176	0.0135	0.5
Chlamydia trachomatis	CBS domain-containing protein	0.0176	0.0135	0.5
Echinococcus granulosus	twitchin	0.0349	0.0625	0.1352
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.036	0.0654	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0297	0.0477	0.0477
Echinococcus multilocularis	tyrosine protein kinase Blk	0.031	0.0512	0.1108
Mycobacterium tuberculosis	Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450)	0.0176	0.0135	0.5
Toxoplasma gondii	5'-AMP-activated protein kinase subunit beta-1 family protein, putative	0.053	0.1134	1
Brugia malayi	SRC-1	0.036	0.0654	0.0654
Echinococcus granulosus	tyrosine protein kinase Fyn	0.036	0.0654	0.1415
Schistosoma mansoni	protein kinase subunit beta	0.0898	0.2174	0.4705
Mycobacterium tuberculosis	Conserved protein	0.0176	0.0135	0.5
Trypanosoma cruzi	SNF1-related protein kinases, putative	0.0344	0.0609	0.2324
Trypanosoma brucei	SNF1-related protein kinases, putative	0.0344	0.0609	0.2324
Echinococcus granulosus	tyrosine protein kinase Src42A	0.036	0.0654	0.1415
Brugia malayi	protein-tyrosine kinase	0.031	0.0512	0.0512
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.031	0.0512	0.1108
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0176	0.0135	0.5
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0176	0.0135	0.0293
Echinococcus granulosus	neuroglian	0.0143	0.0043	0.0093
Toxoplasma gondii	CBS domain-containing protein	0.0176	0.0135	0.1039
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.036	0.0654	0.1415
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0146	0.0051	0.0111
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.036	0.0654	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0354	0.0637	0.0637
Echinococcus granulosus	AMP activated protein kinase gamma regulatory	0.0176	0.0135	0.0293
Schistosoma mansoni	serine/threonine protein kinase	0.0344	0.0609	0.1318
Loa Loa (eye worm)	loechrig isoform VII	0.1746	0.4569	0.4569
Echinococcus multilocularis	neuroglian	0.0338	0.0593	0.1284
Toxoplasma gondii	CBS domain-containing protein	0.0176	0.0135	0.1039
Echinococcus granulosus	tyrosine protein kinase Blk	0.031	0.0512	0.1108
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0371	0.0685	0.1483
Echinococcus multilocularis	serine:threonine kinase SAD 1	0.0344	0.0609	0.1318
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0146	0.0051	0.0111
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0176	0.0135	0.5
Brugia malayi	Transforming growth factor beta like domain containing protein	0.0321	0.0544	0.0544
Loa Loa (eye worm)	SRC-1	0.036	0.0654	0.0654
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.0818	0.195	0.195
Schistosoma mansoni	tyrosine kinase	0.036	0.0654	0.1415
Trichomonas vaginalis	CAMK family protein kinase	0.0344	0.0609	0.5
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0354	0.0637	0.1379
Echinococcus granulosus	tyrosine kinase	0.031	0.0512	0.1108
Echinococcus multilocularis	roundabout 2	0.0143	0.0043	0.0093
Echinococcus granulosus	TGF-beta receptor type-1	0.0785	0.1855	0.4014
Trypanosoma cruzi	5'-AMP-activated protein kinase subunit beta, putative	0.0898	0.2174	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.0135	0.0135
Echinococcus multilocularis	neuroglian	0.0143	0.0043	0.0093
Brugia malayi	hypothetical protein	0.0333	0.0578	0.0578
Trypanosoma cruzi	5'-AMP-activated protein kinase catalytic subunit alpha, putative	0.0344	0.0609	0.2324
Schistosoma mansoni	cell adhesion molecule	0.0369	0.068	0.1472
Loa Loa (eye worm)	TKL/STKR/TYPE2 protein kinase	0.052	0.1108	0.1108
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0176	0.0135	0.0293
Echinococcus granulosus	5' AMP activated protein kinase subunit gamma	0.1746	0.4569	0.9888
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.0176	0.0135	0.5
Brugia malayi	CBS domain containing protein	0.0176	0.0135	0.0135
Loa Loa (eye worm)	LjBmp2/4b	0.2563	0.6877	0.6877
Schistosoma mansoni	chloride channel protein	0.0176	0.0135	0.0293
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0542	0.1168	0.5067
Mycobacterium leprae	conserved hypothetical protein	0.0176	0.0135	0.5
Loa Loa (eye worm)	chloride channel 3	0.0176	0.0135	0.0135

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 8.6 %	Inhibition of ovine COX1 assessed as residual enzyme activity at 30 uM preincubated for 5 mins by measuring 12-HHT level using HPLC method relative to control	ChEMBL.	19719242
Activity (binding)	= 13.6 %	Inhibition of human recombinant COX2 assessed as residual activity at 30 uM preincubated for 5 mins by measuring 12-HHT level using HPLC method relative to control	ChEMBL.	19719242
Activity (binding)	= 32.2 %	Inhibition of mPGES1 in IL1-beta treated human A549 cell microsomal membrane assessed as residual enzyme activity at 10 uM after 1 min by measuring PGE2 level using RP-HPLC method relative to control	ChEMBL.	19719242
IC50 (binding)	= 4.8 uM	Inhibition of mPGES1 in IL1-beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level using RP-HPLC method	ChEMBL.	19719242

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.

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External resources for this compound

ChEMBL: CHEMBL550894

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1048599